131614-02-3
(4S)-6-(2-CHLOROPHENYL)-9-(CYCLOPROPYLCARBONYL)-7,8,9,10-TETRAHYDRO-1,4-DIMETHYL-4H-PYRIDO[4',3':4,5]THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE
Name(4S)-6-(2-CHLOROPHENYL)-9-(CYCLOPROPYLCARBONYL)-7,8,9,10-TETRAHYDRO-1,4-DIMETHYL-4H-PYRIDO[4',3':4,5]THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE
pro_formulaC23 H22 Cl N5 O S
1Identification
【Name】
(4S)-6-(2-CHLOROPHENYL)-9-(CYCLOPROPYLCARBONYL)-7,8,9,10-TETRAHYDRO-1,4-DIMETHYL-4H-PYRIDO[4',3':4,5]THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE
【CAS】
【MDL】
MFCD00869970
【中文同义词】
【EnglishSynonyms】
4H-PYRIDO[4',3':4,5]THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE, 6-(2-CHLOROPHENYL)-9-(CYCLOPROPYLCARBONYL)-7,8,9,10-TETRAHYDRO-1,4-DIMETHYL-, (4S)-
(4S)-6-(2-CHLOROPHENYL)-9-(CYCLOPROPYLCARBONYL)-7,8,9,10-TETRAHYDRO-1,4-DIMETHYL-4H-PYRIDO[4',3':4,5]THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE
【pro_formula】
C23 H22 Cl N5 O S
【pro_molWeight】
451.98
【Inchi】
InChI=1S/C23H22ClN5OS/c1-12-21-27-26-13(2)29(21)23-19(20(25-12)15-5-3-4-6-17(15)24)16-9-10-28(11-18(16)31-23)22(30)14-7-8-14/h3-6,12,14H,7-11H2,1-2H3/t12-/m0/s1
【InChIKey】
InChIKey=JEQVYSUCZLYBRQ-LBPRGKRZSA-N
【SMILES】
Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=O)C5CC5)C(=N[C@H]2C)c6ccccc6Cl
【MOL File】
(4S)-6-(2-CHLOROPHEN….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(4S)-6-(2-CHLOROPHENYL)-9-(CYCLOPROPYLCARBONYL)-7,8,9,10-TETRAHYDRO-1,4-DIMETHYL-4H-PYRIDO[4',3':4,5]THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE.cml