N-benzyl-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]thiourea
Chemical Structure Depiction of
N-benzyl-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]thiourea
N-benzyl-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1113 |
| Compound Name: | N-benzyl-N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]thiourea |
| Molecular Weight: | 397.93 |
| Molecular Formula: | C21 H20 Cl N3 O S |
| Smiles: | COc1ccc(cc1[Cl])NC(N(Cc1ccccc1)Cc1cccnc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3007 |
| logD: | 4.3001 |
| logSw: | -4.5666 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.5762 |
| InChI Key: | XJBKVVNPLABTQZ-UHFFFAOYSA-N |