2-(4-bromoanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Chemical Structure Depiction of
2-(4-bromoanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
2-(4-bromoanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
Compound characteristics
| Compound ID: | K261-1437 |
| Compound Name: | 2-(4-bromoanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate |
| Molecular Weight: | 480.34 |
| Molecular Formula: | C19 H18 Br N3 O5 S |
| Smiles: | C(CC1NS(c2ccccc2N=1)(=O)=O)CC(=O)OCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.616 |
| logD: | 2.6159 |
| logSw: | -3.19 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.788 |
| InChI Key: | BLWWXGARVKWSJN-UHFFFAOYSA-N |