N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide
N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide
Compound characteristics
| Compound ID: | 0602-0226 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide |
| Molecular Weight: | 497.79 |
| Molecular Formula: | C20 H15 Cl3 N4 O3 S |
| Smiles: | c1ccc(c(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc2ccccc12)=O)=S)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4078 |
| logD: | 5.3421 |
| logSw: | -6.2685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.471 |
| InChI Key: | GARUVIWMVQSLIS-SFHVURJKSA-N |