ethyl 4-({5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
ethyl 4-({5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D233-0396 |
| Compound Name: | ethyl 4-({5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 473.93 |
| Molecular Formula: | C22 H20 Cl N3 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccc(C)cc1)(=O)=O)[Cl])=O)c1ccc(cc1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.3784 |
| logD: | 3.9675 |
| logSw: | -4.4238 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.261 |
| InChI Key: | OTQMCUKWHQYKHJ-UHFFFAOYSA-N |