5-chloro-N-(2,5-dimethylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2,5-dimethylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(2,5-dimethylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0135 |
| Compound Name: | 5-chloro-N-(2,5-dimethylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 333.84 |
| Molecular Formula: | C16 H16 Cl N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.2364 |
| logD: | 4.2351 |
| logSw: | -4.3362 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.217 |
| InChI Key: | XEGOMOKMQSBIGV-UHFFFAOYSA-N |