(4-{[1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,6-dichlorophenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,6-dichlorophenoxy)acetic acid
(4-{[1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,6-dichlorophenoxy)acetic acid
Compound characteristics
| Compound ID: | 2897-0434 |
| Compound Name: | (4-{[1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,6-dichlorophenoxy)acetic acid |
| Molecular Weight: | 507.39 |
| Molecular Formula: | C23 H20 Cl2 N2 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)N1C(C(=C\c2cc(c(c(c2)[Cl])OCC(O)=O)[Cl])\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6011 |
| logD: | 1.3642 |
| logSw: | -5.6818 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.285 |
| InChI Key: | OXNVTIQSCNSKBZ-UHFFFAOYSA-N |