143692-53-9
1-(4-ACETYLAMINOPHENYL)-3-ACETYL-4-METHYL-7,8-METHYLENEDIOXY-3,4-DIHYD RO-5H-2,3-BENZODIAZEPINE
Name1-(4-ACETYLAMINOPHENYL)-3-ACETYL-4-METHYL-7,8-METHYLENEDIOXY-3,4-DIHYD RO-5H-2,3-BENZODIAZEPINE
1Identification
【Name】
1-(4-ACETYLAMINOPHENYL)-3-ACETYL-4-METHYL-7,8-METHYLENEDIOXY-3,4-DIHYD RO-5H-2,3-BENZODIAZEPINE
【CAS】
【MDL】
MFCD01751019
【English Synonyms】
【Formula】
C21 H21 N3 O4
【MolWeight】
379.414
【Inchi】
InChI=1S/C21H21N3O4/c1-12-8-16-9-19-20(28-11-27-19)10-18(16)21(23-24(12)14(3)26)15-4-6-17(7-5-15)22-13(2)25/h4-7,9-10,12H,8,11H2,1-3H3,(H,22,25)
【InChIKey】
InChIKey=RNJAHAXIBIIAHU-UHFFFAOYSA-N
【SMILES】
CC1Cc2cc3c(cc2C(=NN1C(=O)C)c4ccc(cc4)NC(=O)C)OCO3
【MOL File】
1-(4-ACETYLAMINOPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-ACETYLAMINOPHENYL)-3-ACETYL-4-METHYL-7,8-METHYLENEDIOXY-3,4-DIHYD RO-5H-2,3-BENZODIAZEPINE.cml