2-[4-(3-methylphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-sulfonyl]benzonitrile
Chemical Structure Depiction of
2-[4-(3-methylphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-sulfonyl]benzonitrile
2-[4-(3-methylphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | V020-8835 |
| Compound Name: | 2-[4-(3-methylphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-sulfonyl]benzonitrile |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H29 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)c1nc2CCN(Cc2c(n1)Oc1cccc(C)c1)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7537 |
| logD: | 5.7537 |
| logSw: | -5.6036 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.624 |
| InChI Key: | HYJSDPDGKGAUBF-UHFFFAOYSA-N |