8-methoxy-3-{5-oxo-5-[4-(pyrimidin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-{5-oxo-5-[4-(pyrimidin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-{5-oxo-5-[4-(pyrimidin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C675-0166 |
| Compound Name: | 8-methoxy-3-{5-oxo-5-[4-(pyrimidin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 493.59 |
| Molecular Formula: | C24 H27 N7 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(N3CCN(CC3)c3ncccn3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.1238 |
| logD: | 2.1237 |
| logSw: | -2.9811 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.813 |
| InChI Key: | HMELLMUHINBSGO-UHFFFAOYSA-N |