2-chloro-5-(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-chloro-5-(5-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3288-0063 |
| Compound Name: | 2-chloro-5-(5-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C23 H15 Cl N2 O5 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6428 |
| logD: | 0.2125 |
| logSw: | -4.646 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.206 |
| InChI Key: | MQPXUZPVJDSDEO-UHFFFAOYSA-N |