2-(5-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4299-0359 |
| Compound Name: | 2-(5-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C23 H16 N2 O5 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccc(c3ccccc3C(O)=O)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6931 |
| logD: | -0.3598 |
| logSw: | -3.9197 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.206 |
| InChI Key: | XDDKTWMJPWXZER-UHFFFAOYSA-N |