ethyl 4-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzoate
ethyl 4-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzoate
Compound characteristics
| Compound ID: | E013-1942 |
| Compound Name: | ethyl 4-{[5-(3-bromophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzoate |
| Molecular Weight: | 449.32 |
| Molecular Formula: | C19 H17 Br N2 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC1C(C)=C(c2cccc(c2)[Br])S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7855 |
| logD: | 4.7756 |
| logSw: | -4.5517 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.598 |
| InChI Key: | VPMTYOTYPPOCSO-UHFFFAOYSA-N |