3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C661-0204 |
| Compound Name: | 3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5968 |
| logD: | 3.5966 |
| logSw: | -3.9941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.15 |
| InChI Key: | XDXLMDNXQPFHIW-UHFFFAOYSA-N |