(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-chlorophenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-chlorophenoxy)acetic acid
(4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-chlorophenoxy)acetic acid
Compound characteristics
| Compound ID: | 3699-1290 |
| Compound Name: | (4-{[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-chlorophenoxy)acetic acid |
| Molecular Weight: | 495.73 |
| Molecular Formula: | C19 H12 Br Cl N2 O5 S |
| Smiles: | C(C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=S)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4409 |
| logD: | -0.7961 |
| logSw: | -3.91 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.198 |
| InChI Key: | TUYLUTBOYPYCOK-UHFFFAOYSA-N |