2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M060-0335 |
| Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccc(CNC(CSc2c3c(c4cc(c(cc4[nH]3)OC)OC)ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0922 |
| logD: | 3.0911 |
| logSw: | -3.1835 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.232 |
| InChI Key: | JYQRDKOWEZUGOW-UHFFFAOYSA-N |