2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-ethylphenyl)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-(2-ethylphenyl)acetamide
2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-2217 |
| Compound Name: | 2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C29 H28 N4 O3 S |
| Smiles: | CCc1ccccc1NC(CSC1=Nc2c3cc(ccc3n(C)c2C(N1Cc1ccccc1)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3228 |
| logD: | 5.3228 |
| logSw: | -5.3373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.437 |
| InChI Key: | LLVHSASIJQQCSR-UHFFFAOYSA-N |