2-chloro-4-(5-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-4-(5-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-4-(5-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4299-0853 |
| Compound Name: | 2-chloro-4-(5-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 482.9 |
| Molecular Formula: | C23 H15 Cl N2 O6 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(C(O)=O)c(c3)[Cl])o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0668 |
| logD: | -0.5787 |
| logSw: | -4.4065 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.75 |
| InChI Key: | SIEJUTUWEKUJGP-UHFFFAOYSA-N |