3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
Chemical Structure Depiction of
3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
Compound characteristics
| Compound ID: | D239-0027 |
| Compound Name: | 3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C26 H24 N2 O5 S |
| Smiles: | CN(C)CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccccc1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8969 |
| logD: | 3.7027 |
| logSw: | -4.0447 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.95 |
| InChI Key: | YUSIFMXRNKENRR-UHFFFAOYSA-N |