methyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
methyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D054-0094 |
| Compound Name: | methyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 351.81 |
| Molecular Formula: | C15 H14 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6607 |
| logD: | 2.3318 |
| logSw: | -3.9824 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.391 |
| InChI Key: | PBNKWADTCGGGJI-UHFFFAOYSA-N |