N-(3-methoxyphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(3-methoxyphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-1057 |
Compound Name: | N-(3-methoxyphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 486.55 |
Molecular Formula: | C26 H22 N4 O4 S |
Smiles: | COc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cccc(c1)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.0967 |
logD: | 4.0967 |
logSw: | -4.4217 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.355 |
InChI Key: | XFQYUNKEVRROKR-UHFFFAOYSA-N |