N-[(2-chloro-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
N-[(2-chloro-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | 3616-0551 |
| Compound Name: | N-[(2-chloro-5-nitrophenyl)carbamothioyl]furan-2-carboxamide |
| Molecular Weight: | 325.73 |
| Molecular Formula: | C12 H8 Cl N3 O4 S |
| Smiles: | c1cc(C(NC(Nc2cc(ccc2[Cl])[N+]([O-])=O)=S)=O)oc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1132 |
| logD: | 3.0809 |
| logSw: | -3.6357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.502 |
| InChI Key: | WTLLMADXYFMNJK-UHFFFAOYSA-N |