3-[5-(2-ethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[5-(2-ethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-[5-(2-ethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C675-0149 |
| Compound Name: | 3-[5-(2-ethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | CCC1CCCCN1C(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1381 |
| logD: | 3.138 |
| logSw: | -3.3488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.837 |
| InChI Key: | ZVYZFMIDOMMTNP-HNNXBMFYSA-N |