5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
Compound ID: | 4998-1414 |
Compound Name: | 5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
Molecular Weight: | 420.46 |
Molecular Formula: | C22 H17 F N4 O2 S |
Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2cccc(c2)F)=S)=O)c(C)n1c1cccnc1 |
Stereo: | ACHIRAL |
logP: | 2.5324 |
logD: | 2.001 |
logSw: | -2.5713 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.411 |
InChI Key: | WISOJRVDPMKGJR-UHFFFAOYSA-N |