2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0067 |
| Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C21 H21 N3 O S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 5.1161 |
| logD: | 5.1161 |
| logSw: | -5.0949 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.725 |
| InChI Key: | HAQXSHKMUQJKEN-UHFFFAOYSA-N |