927611-06-1
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(4-METHYLPHENYL)-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(4-METHYLPHENYL)-4-(PHENYLMETHYL)-
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(4-METHYLPHENYL)-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151943
【EnglishSynonyms】
【pro_formula】
C21 H27 N3 O
【pro_molWeight】
337.464
【Inchi】
InChI=1S/C21H27N3O/c1-18-8-10-20(11-9-18)22-21(25)17-24-13-5-12-23(14-15-24)16-19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H,22,25)
【InChIKey】
InChIKey=NAKGXYGWRXOWHW-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CN2CCCN(CC2)Cc3ccccc3
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(4-METHYLPHENYL)-4-(PHENYLMETHYL)-.cml