N-(2,4-dimethoxyphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2,4-dimethoxyphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0220 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C20 H17 F N4 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSc1c2c(c3cc(ccc3[nH]2)F)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2036 |
| logD: | 3.2029 |
| logSw: | -3.5103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.126 |
| InChI Key: | VRKULWUXBKODAJ-UHFFFAOYSA-N |