N-[(3-methoxyphenyl)methyl]-3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)benzamide
N-[(3-methoxyphenyl)methyl]-3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | G545-0201 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | COc1cccc(CNC(c2ccc(c(c2)NC(Nc2cccc(c2)SC)=O)N2CCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.55 |
| logD: | 5.5497 |
| logSw: | -5.3438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.318 |
| InChI Key: | KAMCMBWAPXBIHO-UHFFFAOYSA-N |