{2-chloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Chemical Structure Depiction of
{2-chloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
{2-chloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 3699-0430 |
| Compound Name: | {2-chloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid |
| Molecular Weight: | 416.84 |
| Molecular Formula: | C19 H13 Cl N2 O5 S |
| Smiles: | C(C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5257 |
| logD: | -1.7113 |
| logSw: | -3.3172 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.198 |
| InChI Key: | AANMGHKAEAZDHL-UHFFFAOYSA-N |