927611-79-8
3-[[2-[HEXAHYDRO-4-(PHENYLMETHYL)-1H-1,4-DIAZEPIN-1-YL]ACETYL]AMINO]-4-METHYL-BENZOIC ACID METHYL ESTER
Name3-[[2-[HEXAHYDRO-4-(PHENYLMETHYL)-1H-1,4-DIAZEPIN-1-YL]ACETYL]AMINO]-4-METHYL-BENZOIC ACID METHYL ESTER
1Identification
【Name】
3-[[2-[HEXAHYDRO-4-(PHENYLMETHYL)-1H-1,4-DIAZEPIN-1-YL]ACETYL]AMINO]-4-METHYL-BENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09152020
【EnglishSynonyms】
【pro_formula】
C23 H29 N3 O3
【pro_molWeight】
395.5
【Inchi】
InChI=1S/C23H29N3O3/c1-18-9-10-20(23(28)29-2)15-21(18)24-22(27)17-26-12-6-11-25(13-14-26)16-19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3,(H,24,27)
【InChIKey】
InChIKey=RBUGHWLULJDKNL-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=O)CN2CCCN(CC2)Cc3ccccc3)C(=O)OC
【MOL File】
3-[[2-[HEXAHYDRO-4-(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[[2-[HEXAHYDRO-4-(PHENYLMETHYL)-1H-1,4-DIAZEPIN-1-YL]ACETYL]AMINO]-4-METHYL-BENZOIC ACID METHYL ESTER.cml