N-(4-methoxyphenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(4-methoxyphenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0177 |
| Compound Name: | N-(4-methoxyphenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C18 H18 N4 O4 S |
| Smiles: | COc1ccc(cc1)NC(C1CC(NC2=C1C(NC(=N2)SCC=C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.054 |
| logD: | 1.0444 |
| logSw: | -2.2183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.047 |
| InChI Key: | CPANQKODCSEVAI-LBPRGKRZSA-N |