3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Chemical Structure Depiction of
3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Compound characteristics
| Compound ID: | D239-0024 |
| Compound Name: | 3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H23 N O5 S |
| Smiles: | CCCCN1C(=C(c2ccccc2S1(=O)=O)OC(CC)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3014 |
| logD: | 4.3014 |
| logSw: | -4.2005 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.761 |
| InChI Key: | YCKBYALHCBLCMI-UHFFFAOYSA-N |