N-(3,5-dimethylphenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(3,5-dimethylphenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-0750 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4296 |
| logD: | 3.4296 |
| logSw: | -3.9438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.916 |
| InChI Key: | VSRXXLYIGBMSAK-UHFFFAOYSA-N |