N-(4-bromophenyl)-2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4779-0037 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 394.29 |
| Molecular Formula: | C16 H16 Br N3 O2 S |
| Smiles: | CC1=C(CC=C)C(NC(=N1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0628 |
| logD: | 2.9017 |
| logSw: | -3.3544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.302 |
| InChI Key: | PEGSWRKKZOUGCT-UHFFFAOYSA-N |