3-(3-chlorophenyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chlorophenyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0291 |
| Compound Name: | 3-(3-chlorophenyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C27 H29 Cl N4 O3 |
| Smiles: | CCC1CCCCN1C(CN1C(N(C(c2c1c1cc(C)ccc1n2C)=O)c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5143 |
| logD: | 4.5143 |
| logSw: | -4.4354 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.774 |
| InChI Key: | XOZLAVGSLXTPDZ-IBGZPJMESA-N |