927611-25-4
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(2-METHOXYPHENYL)-4-(PHENYLMETHYL)-
Name1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(2-METHOXYPHENYL)-4-(PHENYLMETHYL)-
1Identification
【Name】
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(2-METHOXYPHENYL)-4-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD09151970
【EnglishSynonyms】
【pro_formula】
C21 H27 N3 O2
【pro_molWeight】
353.463
【Inchi】
InChI=1S/C21H27N3O2/c1-26-20-11-6-5-10-19(20)22-21(25)17-24-13-7-12-23(14-15-24)16-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3,(H,22,25)
【InChIKey】
InChIKey=HPXNHGZVJGIOKH-UHFFFAOYSA-N
【SMILES】
COc1ccccc1NC(=O)CN2CCCN(CC2)Cc3ccccc3
【MOL File】
1H-1,4-DIAZEPINE-1-A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-1,4-DIAZEPINE-1-ACETAMIDE, HEXAHYDRO-N-(2-METHOXYPHENYL)-4-(PHENYLMETHYL)-.cml