2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0011 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0453 |
| logD: | 3.0453 |
| logSw: | -3.1788 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.449 |
| InChI Key: | OSDNDDDKHIIWKX-UHFFFAOYSA-N |