2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0157 |
| Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CSC2=Nc3c4ccccc4[nH]c3C(N2CCOC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6371 |
| logD: | 4.6371 |
| logSw: | -4.2881 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.322 |
| InChI Key: | IKVTWAXQLGGVIQ-UHFFFAOYSA-N |