N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-1,3-thiazole-4-carboxamide
Compound characteristics
Compound ID: | V017-5713 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-1,3-thiazole-4-carboxamide |
Molecular Weight: | 595.69 |
Molecular Formula: | C34 H30 F N3 O4 S |
Salt: | not_available |
Smiles: | C(c1ccc2c(c1)OCO2)NC(c1csc(CN(Cc2ccc(cc2)OCc2ccccc2)Cc2ccc(cc2)F)n1)=O |
Stereo: | ACHIRAL |
logP: | 6.4272 |
logD: | 6.4272 |
logSw: | -6.0713 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.936 |
InChI Key: | WSBQXQVJBOJOFS-UHFFFAOYSA-N |