methyl 4-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
methyl 4-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D233-0517 |
| Compound Name: | methyl 4-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 445.88 |
| Molecular Formula: | C20 H16 Cl N3 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4444 |
| logD: | 3.0334 |
| logSw: | -3.871 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.681 |
| InChI Key: | INBRIJJYXXIQAF-UHFFFAOYSA-N |