N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide
N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide
Compound characteristics
| Compound ID: | 1309-0775 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide |
| Molecular Weight: | 455.79 |
| Molecular Formula: | C16 H21 Cl3 N4 O3 S |
| Smiles: | CCCCCCC(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0589 |
| logD: | 4.9621 |
| logSw: | -5.0901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.799 |
| InChI Key: | FOWMOMRQESHFAI-AWEZNQCLSA-N |