{2,6-dichloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Chemical Structure Depiction of
{2,6-dichloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
{2,6-dichloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 2897-0430 |
| Compound Name: | {2,6-dichloro-4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid |
| Molecular Weight: | 451.28 |
| Molecular Formula: | C19 H12 Cl2 N2 O5 S |
| Smiles: | C(C(O)=O)Oc1c(cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6851 |
| logD: | -0.5519 |
| logSw: | -4.1301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.285 |
| InChI Key: | HDYNQLDBCTVPHC-UHFFFAOYSA-N |