N-(2H-1,3-benzodioxol-5-yl)-2-[(3-ethyl-8-methoxy-5-methyl-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-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L880-0079 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3543 |
| logD: | 3.3543 |
| logSw: | -3.7075 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.247 |
| InChI Key: | IABFEROZZLZGPX-UHFFFAOYSA-N |