N-(2H-1,3-benzodioxol-5-yl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0405 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | COc1cc2c3c(c(ncn3)SCC(Nc3ccc4c(c3)OCO4)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8206 |
| logD: | 2.8195 |
| logSw: | -3.3655 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.025 |
| InChI Key: | QDZFAMOHGQUEKR-UHFFFAOYSA-N |