butyl 4-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}benzoate
butyl 4-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D053-0178 |
| Compound Name: | butyl 4-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C19 H22 Cl N3 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1ccc(cc1)C(=O)OCCCC |
| Stereo: | ACHIRAL |
| logP: | 4.3614 |
| logD: | 3.9505 |
| logSw: | -4.4025 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.827 |
| InChI Key: | CMPJYACKLAXOOP-UHFFFAOYSA-N |