2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0313 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | Cc1cccc(c1)NC(C1CC(NC2=C1C(NC(=N2)SCc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4522 |
| logD: | 2.4446 |
| logSw: | -3.3371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.231 |
| InChI Key: | HVPUHHAMYMPLKT-INIZCTEOSA-N |