5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0687 |
| Compound Name: | 5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 392.88 |
| Molecular Formula: | C16 H13 Cl N4 O2 S2 |
| Smiles: | COc1ccc2c(c1)sc(NC(c1c(cnc(n1)SCC=C)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.9229 |
| logD: | 4.9097 |
| logSw: | -4.9733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.22 |
| InChI Key: | VRETYCOZKYMRKN-UHFFFAOYSA-N |