2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-phenylacetamide
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | M060-0351 |
| Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | COc1cc2c3c(c(ncn3)SCC(Nc3ccccc3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7958 |
| logD: | 2.7947 |
| logSw: | -3.3665 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.91 |
| InChI Key: | IYMFRCMXLPKBOP-UHFFFAOYSA-N |