5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0686 |
| Compound Name: | 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 380.85 |
| Molecular Formula: | C15 H10 Cl F N4 O S2 |
| Smiles: | C=CCSc1ncc(c(C(Nc2nc3ccc(cc3s2)F)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.916 |
| logD: | 4.8899 |
| logSw: | -5.0505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.676 |
| InChI Key: | AFVDTSWJHPSEEO-UHFFFAOYSA-N |