3-(4-methylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-methylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-methylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0879 |
| Compound Name: | 3-(4-methylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0645 |
| logD: | 4.0645 |
| logSw: | -4.0138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.51 |
| InChI Key: | VBDMCISLIBLARZ-UHFFFAOYSA-N |