2-chloro-5-(5-{[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3269-0109 |
| Compound Name: | 2-chloro-5-(5-{[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 470.86 |
| Molecular Formula: | C22 H12 Cl F N2 O5 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)F)=S)=O)/c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2485 |
| logD: | -0.1818 |
| logSw: | -4.4697 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.206 |
| InChI Key: | ZONAFSPRNLPYDE-UHFFFAOYSA-N |