8-methoxy-3-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C675-0180 |
| Compound Name: | 8-methoxy-3-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | CC1CCN(CC1)C(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6543 |
| logD: | 2.6542 |
| logSw: | -3.1956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.191 |
| InChI Key: | AFTLYFUNDOHAMF-UHFFFAOYSA-N |