3-(2-methoxyethyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(2-methoxyethyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(2-methoxyethyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0158 |
| Compound Name: | 3-(2-methoxyethyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | Cc1ccc(CSC2=Nc3c4ccccc4[nH]c3C(N2CCOC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5554 |
| logD: | 3.5554 |
| logSw: | -3.6816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.322 |
| InChI Key: | BDAJCXBTRWMPEJ-UHFFFAOYSA-N |