{2,6-dichloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Chemical Structure Depiction of
{2,6-dichloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
{2,6-dichloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 2897-0418 |
| Compound Name: | {2,6-dichloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid |
| Molecular Weight: | 375.18 |
| Molecular Formula: | C13 H8 Cl2 N2 O5 S |
| Smiles: | C(C(O)=O)Oc1c(cc(C=C2C(NC(NC2=O)=S)=O)cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9682 |
| logD: | -1.2688 |
| logSw: | -3.2646 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.682 |
| InChI Key: | OCUBQNATRSMHHF-UHFFFAOYSA-N |