N-(3,5-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3,5-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0569 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1cc(cc(c1)OC)OC)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.5572 |
| logD: | 3.5558 |
| logSw: | -3.9102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.28 |
| InChI Key: | HGXLEQNFNDBRJV-UHFFFAOYSA-N |