N-{[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}pyridine-3-carboxamide
N-{[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0076 |
| Compound Name: | N-{[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H16 N4 O3 S |
| Smiles: | COc1cccc(c1)c1nc2cc(ccc2o1)NC(NC(c1cccnc1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7227 |
| logD: | 3.721 |
| logSw: | -3.9417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.112 |
| InChI Key: | WFEXTZLDISVZIV-UHFFFAOYSA-N |