3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C676-0179 |
| Compound Name: | 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C23 H22 F N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.335 |
| logD: | 2.335 |
| logSw: | -3.0261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.473 |
| InChI Key: | WFKPGUADUCNDTA-UHFFFAOYSA-N |