methyl 2-{[5-chloro-2-(propylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-chloro-2-(propylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
methyl 2-{[5-chloro-2-(propylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D054-0396 |
| Compound Name: | methyl 2-{[5-chloro-2-(propylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 365.84 |
| Molecular Formula: | C16 H16 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.994 |
| logD: | 2.6651 |
| logSw: | -4.3894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.391 |
| InChI Key: | FSMIAIWFEUWDQR-UHFFFAOYSA-N |