4-{[4-({4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinan-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-({4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinan-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid
4-{[4-({4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinan-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 2897-1481 |
| Compound Name: | 4-{[4-({4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinan-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C29 H26 N2 O6 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)C(O)=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.143 |
| logD: | 2.1715 |
| logSw: | -4.9946 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.581 |
| InChI Key: | GBKAAQLOEWRVLI-UHFFFAOYSA-N |