2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0352 |
| Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6805 |
| logD: | 3.6794 |
| logSw: | -3.9483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.91 |
| InChI Key: | IUXFJYCRORQCOS-UHFFFAOYSA-N |