N-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-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: | L880-0068 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-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: | 480.54 |
Molecular Formula: | C24 H24 N4 O5 S |
Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1ccc2c(c1)OCCO2)=O |
Stereo: | ACHIRAL |
logP: | 2.4937 |
logD: | 2.4937 |
logSw: | -2.9998 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.955 |
InChI Key: | AHFPPPHHNLFQEU-UHFFFAOYSA-N |