N-(4-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(4-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G864-0208 |
Compound Name: | N-(4-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 408.45 |
Molecular Formula: | C21 H17 F N4 O2 S |
Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 3.5015 |
logD: | 3.5014 |
logSw: | -3.9223 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.129 |
InChI Key: | CYJKBVDACLPKLA-UHFFFAOYSA-N |