2-(butylsulfanyl)-3-(2-hydroxyethyl)-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-(2-hydroxyethyl)-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-(butylsulfanyl)-3-(2-hydroxyethyl)-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C709-0175 |
| Compound Name: | 2-(butylsulfanyl)-3-(2-hydroxyethyl)-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CCCCSC1=Nc2c3cc(ccc3n(C)c2C(N1CCO)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0821 |
| logD: | 3.0821 |
| logSw: | -3.1225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.163 |
| InChI Key: | BJDJPQBMNNXLNE-UHFFFAOYSA-N |