ethyl 4-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
ethyl 4-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D233-0509 |
| Compound Name: | ethyl 4-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 459.91 |
| Molecular Formula: | C21 H18 Cl N3 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)c1ccc(cc1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.955 |
| logD: | 3.5441 |
| logSw: | -4.3317 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.261 |
| InChI Key: | JRCWZYHESMMDFJ-UHFFFAOYSA-N |