5-chloro-N-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0614 |
| Compound Name: | 5-chloro-N-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 467.01 |
| Molecular Formula: | C20 H23 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1ccc(cc1)S(N1CCC(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5683 |
| logD: | 4.3388 |
| logSw: | -4.4271 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.626 |
| InChI Key: | WXEBTUZFMVKGMP-UHFFFAOYSA-N |