N-benzyl-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
N-benzyl-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0144 |
| Compound Name: | N-benzyl-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 319.81 |
| Molecular Formula: | C15 H14 Cl N3 O S |
| Smiles: | [H]N(Cc1ccccc1)C(c1c(cnc(n1)SCC=C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5882 |
| logD: | 3.5879 |
| logSw: | -3.7143 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.237 |
| InChI Key: | IZKSHTVBVQWNRM-UHFFFAOYSA-N |