8-methoxy-3,5-dimethyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3,5-dimethyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3,5-dimethyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | L880-0313 |
| Compound Name: | 8-methoxy-3,5-dimethyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2c3cc(ccc3n(C)c2C(N1C)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.597 |
| logD: | 2.597 |
| logSw: | -2.9625 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.416 |
| InChI Key: | YGRNMRVAFJYBJH-UHFFFAOYSA-N |