ethyl 2-{2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M060-0345 |
| Compound Name: | ethyl 2-{2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2557 |
| logD: | 3.2391 |
| logSw: | -3.5521 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.966 |
| InChI Key: | WDWCZKWTDNOJKG-UHFFFAOYSA-N |