N-benzyl-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-benzyl-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L880-0237 |
| Compound Name: | N-benzyl-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6851 |
| logD: | 2.6851 |
| logSw: | -3.1074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.495 |
| InChI Key: | MIEKAMMCNRWQBW-UHFFFAOYSA-N |