N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-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: | L880-0322 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | CN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8369 |
| logD: | 2.8368 |
| logSw: | -3.486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.288 |
| InChI Key: | CSMZVAQPKCQYLX-UHFFFAOYSA-N |