2-(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Chemical Structure Depiction of
2-(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
2-(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Compound characteristics
| Compound ID: | 3699-1686 |
| Compound Name: | 2-(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid |
| Molecular Weight: | 475.32 |
| Molecular Formula: | C20 H15 Br N2 O5 S |
| Smiles: | CC(C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=S)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2706 |
| logD: | -0.7288 |
| logSw: | -3.6009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.425 |
| InChI Key: | RFCJEERFGJFOOE-NSHDSACASA-N |