2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0929 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C26 H28 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.842 |
| logD: | 4.8419 |
| logSw: | -4.7914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.841 |
| InChI Key: | XXJMZUWTIJTVJH-UHFFFAOYSA-N |