methyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Chemical Structure Depiction of
methyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
methyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | 2897-1565 |
| Compound Name: | methyl (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate |
| Molecular Weight: | 505.34 |
| Molecular Formula: | C21 H17 Br N2 O6 S |
| Smiles: | COC(COc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6254 |
| logD: | 2.2504 |
| logSw: | -3.1971 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.023 |
| InChI Key: | QZZSUZWKZBQMJO-UHFFFAOYSA-N |