269078-83-3
1H-1,4-BENZODIAZEPINE-1-ACETIC ACID, 5-CYCLOHEXYL-3-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-2,3-DIHYDRO-2-OXO-
Name1H-1,4-BENZODIAZEPINE-1-ACETIC ACID, 5-CYCLOHEXYL-3-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-2,3-DIHYDRO-2-OXO-
1Identification
【Name】
1H-1,4-BENZODIAZEPINE-1-ACETIC ACID, 5-CYCLOHEXYL-3-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-2,3-DIHYDRO-2-OXO-
【CAS】
【MDL】
MFCD01074699
【English Synonyms】
【Formula】
C32 H31 N3 O5
【MolWeight】
537.613
【Inchi】
InChI=1S/C32H31N3O5/c36-28(37)18-35-27-17-9-8-16-25(27)29(20-10-2-1-3-11-20)33-30(31(35)38)34-32(39)40-19-26-23-14-6-4-12-21(23)22-13-5-7-15-24(22)26/h4-9,12-17,20,26,30H,1-3,10-11,18-19H2,(H,34,39)(H,36,37)
【InChIKey】
InChIKey=LRSIWYQFHGKGAH-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4C(=O)N(c5ccccc5C(=N4)C6CCCCC6)CC(=O)O
【MOL File】
1H-1,4-BENZODIAZEPIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-1,4-BENZODIAZEPINE-1-ACETIC ACID, 5-CYCLOHEXYL-3-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-2,3-DIHYDRO-2-OXO-.cml