N-benzyl-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-benzyl-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-0770 |
| Compound Name: | N-benzyl-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | CN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.418 |
| logD: | 2.418 |
| logSw: | -2.7078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.238 |
| InChI Key: | IIEOJNRLSZAIMV-UHFFFAOYSA-N |