N-[(2-methoxyphenyl)methyl]-3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)benzamide
N-[(2-methoxyphenyl)methyl]-3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | G545-0367 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-3-{[3-(methylsulfanyl)phenyl]carbamamido}-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | COc1ccccc1CNC(c1ccc(c(c1)NC(Nc1cccc(c1)SC)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.674 |
| logD: | 5.6737 |
| logSw: | -5.4197 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.405 |
| InChI Key: | JYUZYSLFZXAKIM-UHFFFAOYSA-N |