N-(3-chlorophenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-1125 |
Compound Name: | N-(3-chlorophenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 504.99 |
Molecular Formula: | C26 H21 Cl N4 O3 S |
Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.1705 |
logD: | 5.1704 |
logSw: | -5.5114 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.391 |
InChI Key: | PMHPCIAREFRPHP-UHFFFAOYSA-N |