2-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-sulfonyl]benzonitrile
Chemical Structure Depiction of
2-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-sulfonyl]benzonitrile
2-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | V029-0251 |
| Compound Name: | 2-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-sulfonyl]benzonitrile |
| Molecular Weight: | 495.65 |
| Molecular Formula: | C25 H33 N7 O2 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)c1c2CN(CCc2nc(n1)N1CCN(C)CC1)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.626 |
| logD: | 3.0542 |
| logSw: | -3.907 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.981 |
| InChI Key: | AMQMXOLULCRQIC-UHFFFAOYSA-N |