132388-98-8
8H-Pyrido[4',3':4,5]thieno[2,3-e]-1,4-diazepine-8-carboxylic acid, 5-(2-chlorophenyl)-1,2,3,6,7,9-hexahydro-2-oxo-, ethyl ester
Name8H-Pyrido[4',3':4,5]thieno[2,3-e]-1,4-diazepine-8-carboxylic acid, 5-(2-chlorophenyl)-1,2,3,6,7,9-hexahydro-2-oxo-, ethyl ester
1Identification
【Name】
8H-Pyrido[4',3':4,5]thieno[2,3-e]-1,4-diazepine-8-carboxylic acid, 5-(2-chlorophenyl)-1,2,3,6,7,9-hexahydro-2-oxo-, ethyl ester
【CAS】
【MDL】
【English Synonyms】
8H-PYRIDO[4',3':4,5]THIENO[2,3-E]-1,4-DIAZEPINE-8-CARBOXYLIC ACID, 5-(2-CHLOROPHENYL)-1,2,3,6,7,9-HEXAHYDRO-2-OXO-, ETHYL ESTER
【Formula】
C19H18ClN3O3S
【MolWeight】
403.883
【Inchi】
InChI=1S/C19H18ClN3O3S/c1-2-26-19(25)23-8-7-12-14(10-23)27-18-16(12)17(21-9-15(24)22-18)11-5-3-4-6-13(11)20/h3-6H,2,7-10H2,1H3,(H,22,24)
【InChIKey】
InChIKey=AJIGCPBWHHYNJO-UHFFFAOYSA-N
【SMILES】
ClC1=C(C=CC=C1)C=1C2=C(NC(CN1)=O)SC1=C2CCN(C1)C(=O)OCC
【MOL File】
8H-Pyrido[4',3':4,5]….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
8H-Pyrido[4',3':4,5]thieno[2,3-e]-1,4-diazepine-8-carboxylic acid, 5-(2-chlorophenyl)-1,2,3,6,7,9-hexahydro-2-oxo-, ethyl ester.cml