butyl 4-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
butyl 4-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D053-0093 |
| Compound Name: | butyl 4-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C18 H20 Cl N3 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1ccc(cc1)C(=O)OCCCC |
| Stereo: | ACHIRAL |
| logP: | 3.9067 |
| logD: | 3.4958 |
| logSw: | -4.2691 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.827 |
| InChI Key: | XHUSXQGKKHAUAH-UHFFFAOYSA-N |