4-nitro-N-{[(pyridin-3-yl)methyl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-nitro-N-{[(pyridin-3-yl)methyl]carbamothioyl}benzamide
4-nitro-N-{[(pyridin-3-yl)methyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3212-1051 |
| Compound Name: | 4-nitro-N-{[(pyridin-3-yl)methyl]carbamothioyl}benzamide |
| Molecular Weight: | 316.34 |
| Molecular Formula: | C14 H12 N4 O3 S |
| Smiles: | C(c1cccnc1)NC(NC(c1ccc(cc1)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.4564 |
| logD: | 1.4526 |
| logSw: | -1.7614 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.461 |
| InChI Key: | SBCPQFXBUXBFBA-UHFFFAOYSA-N |