8-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C676-0167 |
| Compound Name: | 8-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | CN1CCN(CC1)C(CN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3672 |
| logD: | 0.2365 |
| logSw: | -2.4321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.689 |
| InChI Key: | NQXMZKUNAFGBMP-UHFFFAOYSA-N |