3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1088 |
| Compound Name: | 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | CCC1CCCCN1C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4111 |
| logD: | 4.4111 |
| logSw: | -4.0573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.28 |
| InChI Key: | NJNJMJNSNUMQBI-SFHVURJKSA-N |