54257-61-3
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2,6-DIMETHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2,6-DIMETHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2,6-DIMETHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09145849
【English Synonyms】
【Formula】
C22 H29 N3 O
【MolWeight】
351.491
【Inchi】
InChI=1S/C22H29N3O/c1-18-8-6-9-19(2)22(18)23-21(26)17-25-13-7-12-24(14-15-25)16-20-10-4-3-5-11-20/h3-6,8-11H,7,12-17H2,1-2H3,(H,23,26)
【InChIKey】
InChIKey=JNJQJKLVHOTPFK-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)CN2CCCN(CC2)Cc3ccccc3)C
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-1,4-DIAZEPINE-1-ACETAMIDE, N-(2,6-DIMETHYLPHENYL)HEXAHYDRO-4-(PHENYLMETHYL)-.cml