4-(5-{[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 5609-0919 |
| Compound Name: | 4-(5-{[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H18 N2 O5 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2ccc(c3ccc(cc3)C(O)=O)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8897 |
| logD: | 1.162 |
| logSw: | -4.3937 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.206 |
| InChI Key: | QACCIOUTGAIGRZ-UHFFFAOYSA-N |