3-(4-ethoxyphenyl)-2-{[2-(4-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-ethoxyphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1087 |
| Compound Name: | 3-(4-ethoxyphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCC(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0101 |
| logD: | 4.0101 |
| logSw: | -3.9641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.634 |
| InChI Key: | JJYIZTCDNCVVDB-UHFFFAOYSA-N |