methyl 4-[({2,2,2-trichloro-1-[(naphthalene-1-carbonyl)amino]ethyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[({2,2,2-trichloro-1-[(naphthalene-1-carbonyl)amino]ethyl}carbamothioyl)amino]benzoate
methyl 4-[({2,2,2-trichloro-1-[(naphthalene-1-carbonyl)amino]ethyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 0602-0230 |
| Compound Name: | methyl 4-[({2,2,2-trichloro-1-[(naphthalene-1-carbonyl)amino]ethyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 510.83 |
| Molecular Formula: | C22 H18 Cl3 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc2ccccc12)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5109 |
| logD: | 5.5043 |
| logSw: | -6.2862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.262 |
| InChI Key: | NYVWZGHNNQEWMC-FQEVSTJZSA-N |