2-chloro-5-(3-{[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(3-{[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
2-chloro-5-(3-{[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3669-2507 |
| Compound Name: | 2-chloro-5-(3-{[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 497.93 |
| Molecular Formula: | C24 H17 Cl F N3 O4 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccccc2F)=S)=O)c(C)n1c1ccc(c(c1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7585 |
| logD: | -1.7912 |
| logSw: | -4.093 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71 |
| InChI Key: | FOPOSXIYFISPTP-UHFFFAOYSA-N |