N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide
N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide
Compound characteristics
| Compound ID: | 0602-0228 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide |
| Molecular Weight: | 527.81 |
| Molecular Formula: | C21 H17 Cl3 N4 O4 S |
| Smiles: | COc1ccc(cc1NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc2ccccc12)=O)=S)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2529 |
| logD: | 5.2464 |
| logSw: | -5.906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.402 |
| InChI Key: | XWBCMQGOFGYZEP-IBGZPJMESA-N |