3-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F796-0106 |
| Compound Name: | 3-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C26 H29 N5 O5 |
| Smiles: | COc1ccc(CN2CCN(CC2)C(CN2C=Nc3c4ccccc4[nH]c3C2=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.3319 |
| logD: | 1.1314 |
| logSw: | -2.1699 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.295 |
| InChI Key: | NSFMJIGKQAXINA-UHFFFAOYSA-N |