3-(3-{[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid
Chemical Structure Depiction of
3-(3-{[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid
3-(3-{[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid
Compound characteristics
| Compound ID: | 3669-2512 |
| Compound Name: | 3-(3-{[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C25 H20 F N3 O4 S |
| Smiles: | Cc1c(cccc1n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccccc2F)=S)=O)c1C)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6279 |
| logD: | -0.9811 |
| logSw: | -4.055 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.699 |
| InChI Key: | YZLIIAQAQBBQFN-UHFFFAOYSA-N |