3-[(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
3-[(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
3-[(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3699-1288 |
| Compound Name: | 3-[(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 567.41 |
| Molecular Formula: | C26 H19 Br N2 O6 S |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=S)=O)ccc1OCc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6375 |
| logD: | 1.74 |
| logSw: | -4.6259 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.581 |
| InChI Key: | STHXXHHMALVKOC-UHFFFAOYSA-N |