3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F796-0208 |
| Compound Name: | 3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 435.91 |
| Molecular Formula: | C23 H22 Cl N5 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CC(N3CCN(CC3)c3ccc(cc3)[Cl])=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.8881 |
| logD: | 2.8881 |
| logSw: | -3.4715 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.95 |
| InChI Key: | BBKSKKQLHKWMDM-UHFFFAOYSA-N |