2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-2221 |
| Compound Name: | 2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | Cc1cccc(c1)NC(CSC1=Nc2c3cc(ccc3n(C)c2C(N1Cc1ccccc1)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1832 |
| logD: | 5.1832 |
| logSw: | -5.0896 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.135 |
| InChI Key: | WJTQJIAEQQHUDR-UHFFFAOYSA-N |