N-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | Y020-3539 |
| Compound Name: | N-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 449.9 |
| Molecular Formula: | C23 H20 Cl N5 O3 |
| Smiles: | C1CN(Cc2ccccc12)C1NC(C2C(CC(NC=2N=1)=O)C(Nc1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9998 |
| logD: | 1.9846 |
| logSw: | -2.6103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.651 |
| InChI Key: | TXGPNNITWHLXMZ-OAHLLOKOSA-N |