927611-61-8
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-4-(PHENYLMETHYL)-N-[2-(PHENYLMETHYL)PHENYL]-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-4-(PHENYLMETHYL)-N-[2-(PHENYLMETHYL)PHENYL]-
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-4-(PHENYLMETHYL)-N-[2-(PHENYLMETHYL)PHENYL]-
【CAS】
【MDL】
MFCD09152004
【English Synonyms】
【Formula】
C27 H31 N3 O
【MolWeight】
413.562
【Inchi】
InChI=1S/C27H31N3O/c31-27(28-26-15-8-7-14-25(26)20-23-10-3-1-4-11-23)22-30-17-9-16-29(18-19-30)21-24-12-5-2-6-13-24/h1-8,10-15H,9,16-22H2,(H,28,31)
【InChIKey】
InChIKey=HCNXVRVAESZHSL-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cc2ccccc2NC(=O)CN3CCCN(CC3)Cc4ccccc4
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-4-(PHENYLMETHYL)-N-[2-(PHENYLMETHYL)PHENYL]-.cml