4-(4-methoxyphenyl)-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-methoxyphenyl)-6-oxo-1-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
4-(4-methoxyphenyl)-6-oxo-1-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 3736-0182 |
| Compound Name: | 4-(4-methoxyphenyl)-6-oxo-1-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | COc1ccc(cc1)C1=C(C#N)C(N(CC=C)C(=N1)SCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5841 |
| logD: | 3.5841 |
| logSw: | -3.6573 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.774 |
| InChI Key: | QXOGUJBLFGTMLN-UHFFFAOYSA-N |