methyl 4-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
methyl 4-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D054-0038 |
| Compound Name: | methyl 4-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 337.78 |
| Molecular Formula: | C14 H12 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4301 |
| logD: | 3.3796 |
| logSw: | -3.8822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.089 |
| InChI Key: | HDMQNQHOWZQGMH-UHFFFAOYSA-N |