949296-05-3
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)HEXAHYDRO-4-(PHENYLMETHYL)-
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD10498297
【English Synonyms】
【Formula】
C23 H29 N3 O3
【MolWeight】
395.5
【Inchi】
InChI=1S/C23H29N3O3/c27-23(24-20-8-9-21-22(16-20)29-15-5-14-28-21)18-26-11-4-10-25(12-13-26)17-19-6-2-1-3-7-19/h1-3,6-9,16H,4-5,10-15,17-18H2,(H,24,27)
【InChIKey】
InChIKey=MVLWRXSTOVSCGJ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2CCCN(CC2)CC(=O)Nc3ccc4c(c3)OCCCO4
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)HEXAHYDRO-4-(PHENYLMETHYL)-.cml