3-[5-(4-ethylpiperazin-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-(4-ethylpiperazin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-[5-(4-ethylpiperazin-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: | C675-0148 |
| Compound Name: | 3-[5-(4-ethylpiperazin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Smiles: | CCN1CCN(CC1)C(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4867 |
| logD: | 1.1663 |
| logSw: | -2.4429 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.728 |
| InChI Key: | QQLYWSLRTFYLKA-UHFFFAOYSA-N |