4-(4-chlorophenyl)-6-oxo-1-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-oxo-1-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-oxo-1-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8008-6942 |
| Compound Name: | 4-(4-chlorophenyl)-6-oxo-1-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 343.83 |
| Molecular Formula: | C17 H14 Cl N3 O S |
| Smiles: | C=CCN1C(=NC(=C(C#N)C1=O)c1ccc(cc1)[Cl])SCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.1964 |
| logD: | 4.1964 |
| logSw: | -4.5965 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.23 |
| InChI Key: | HCVCKFFTPKSGHZ-UHFFFAOYSA-N |