(4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
(4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Compound characteristics
| Compound ID: | 2897-1542 |
| Compound Name: | (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid |
| Molecular Weight: | 491.32 |
| Molecular Formula: | C20 H15 Br N2 O6 S |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)ccc1OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6658 |
| logD: | -1.5712 |
| logSw: | -3.1287 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.828 |
| InChI Key: | DYYFWEHKRMBVDF-UHFFFAOYSA-N |