2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0164 |
| Compound Name: | 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.2283 |
| logD: | 3.2262 |
| logSw: | -3.3469 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.627 |
| InChI Key: | SFMGNBKMHPLDLX-UHFFFAOYSA-N |