N-(2-ethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(2-ethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0361 |
| Compound Name: | N-(2-ethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C23 H21 F N4 O3 S |
| Smiles: | CCc1ccccc1NC(C1CC(NC2=C1C(NC(=N2)SCc1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3248 |
| logD: | 2.3171 |
| logSw: | -2.764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.533 |
| InChI Key: | KAQXVEVQXNMXGV-INIZCTEOSA-N |