86758-90-9
1-PIPERAZINAMINE, 4-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-N-(PHENYLMETHYLENE)-
Name1-PIPERAZINAMINE, 4-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-N-(PHENYLMETHYLENE)-
pro_formulaC25 H24 Cl N3 S
1Identification
【Name】
1-PIPERAZINAMINE, 4-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-N-(PHENYLMETHYLENE)-
【CAS】
【MDL】
MFCD01412067
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H24 Cl N3 S
【pro_molWeight】
434.005
【Inchi】
InChI=1S/C25H24ClN3S/c26-21-10-11-25-22(17-21)23(16-20-8-4-5-9-24(20)30-25)28-12-14-29(15-13-28)27-18-19-6-2-1-3-7-19/h1-11,17-18,23H,12-16H2/b27-18+
【InChIKey】
InChIKey=DKCQAMZCNYTQPS-OVVQPSECSA-N
【SMILES】
c1ccc(cc1)/C=N/N2CCN(CC2)C3Cc4ccccc4Sc5c3cc(cc5)Cl
【MOL File】
1-PIPERAZINAMINE, 4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-PIPERAZINAMINE, 4-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-N-(PHENYLMETHYLENE)-.cml