ethyl 4-({[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamothioyl}amino)benzoate
ethyl 4-({[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 8017-9743 |
| Compound Name: | ethyl 4-({[1-(5-nitropyridin-2-yl)piperidin-4-yl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C20 H23 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NC1CCN(CC1)c1ccc(cn1)[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2624 |
| logD: | 4.2624 |
| logSw: | -4.0111 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.105 |
| InChI Key: | GRSMBQRPAXEJKJ-UHFFFAOYSA-N |