N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0143 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1cc(cc(c1)OC)OC)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.9869 |
| logD: | 3.9849 |
| logSw: | -4.1168 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.737 |
| InChI Key: | MPNDXOMWFDJJFL-UHFFFAOYSA-N |