5-(5-bromo-2-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-(5-bromo-2-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(5-bromo-2-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D271-0132 |
| Compound Name: | 5-(5-bromo-2-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 420.28 |
| Molecular Formula: | C17 H14 Br N3 O3 S |
| Smiles: | COc1ccc(cc1C1CC(NC2=C1C(NC(=N2)SCC#C)=O)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2339 |
| logD: | 2.2163 |
| logSw: | -3.053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.77 |
| InChI Key: | KFRJUPIHOVTIQW-NSHDSACASA-N |