947534-71-6
1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID, 4-[(4-BROMO-2-PYRIDINYL)CARBONYL]HEXAHYDRO, 1,1-DIMETHYLETHYL ESTER
Name1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID, 4-[(4-BROMO-2-PYRIDINYL)CARBONYL]HEXAHYDRO, 1,1-DIMETHYLETHYL ESTER
pro_formulaC16 H22 Br N3 O3
1Identification
【Name】
1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID, 4-[(4-BROMO-2-PYRIDINYL)CARBONYL]HEXAHYDRO, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13195094
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H22 Br N3 O3
【pro_molWeight】
384.272
【Inchi】
InChI=1S/C16H22BrN3O3/c1-16(2,3)23-15(22)20-8-4-7-19(9-10-20)14(21)13-11-12(17)5-6-18-13/h5-6,11H,4,7-10H2,1-3H3
【InChIKey】
InChIKey=GMZSJHNDRIHPFG-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)c2cc(ccn2)Br
【MOL File】
1H-1,4-DIAZEPINE-1-C….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID, 4-[(4-BROMO-2-PYRIDINYL)CARBONYL]HEXAHYDRO, 1,1-DIMETHYLETHYL ESTER.cml