methyl 2-({5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
methyl 2-({5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D233-0266 |
| Compound Name: | methyl 2-({5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 365.84 |
| Molecular Formula: | C16 H16 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC(C)C)[Cl])=O)c1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0647 |
| logD: | 2.7358 |
| logSw: | -4.3663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.391 |
| InChI Key: | OQWOCJMPCASWJO-UHFFFAOYSA-N |