3-{3-[4-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)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: | C661-0183 |
| Compound Name: | 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H24 Cl N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCC(N3CCN(CC3)c3cccc(c3)[Cl])=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.0224 |
| logD: | 3.0223 |
| logSw: | -3.6036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.451 |
| InChI Key: | KMPRQNYXVHWTTC-UHFFFAOYSA-N |