N-([1,1'-biphenyl]-4-yl)-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-([1,1'-biphenyl]-4-yl)-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
N-([1,1'-biphenyl]-4-yl)-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0146 |
| Compound Name: | N-([1,1'-biphenyl]-4-yl)-5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 381.88 |
| Molecular Formula: | C20 H16 Cl N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1ccc(cc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7157 |
| logD: | 5.715 |
| logSw: | -5.9607 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.643 |
| InChI Key: | MQRFQBORANHFTF-UHFFFAOYSA-N |