3-[({2,2,2-trichloro-1-[(naphthalene-1-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Chemical Structure Depiction of
3-[({2,2,2-trichloro-1-[(naphthalene-1-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
3-[({2,2,2-trichloro-1-[(naphthalene-1-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 0602-0235 |
| Compound Name: | 3-[({2,2,2-trichloro-1-[(naphthalene-1-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid |
| Molecular Weight: | 496.8 |
| Molecular Formula: | C21 H16 Cl3 N3 O3 S |
| Smiles: | c1ccc2c(cccc2c1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)C(O)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5441 |
| logD: | 2.6582 |
| logSw: | -6.0572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.496 |
| InChI Key: | HCPSEKMCDNWKSK-IBGZPJMESA-N |