3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-[(piperidin-1-yl)methyl]benzoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-[(piperidin-1-yl)methyl]benzoate
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-[(piperidin-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 6405-0045 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-[(piperidin-1-yl)methyl]benzoate |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C31 H30 N2 O5 S |
| Smiles: | C=CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(CN2CCCCC2)cc1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1246 |
| logD: | 3.6736 |
| logSw: | -5.2327 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.817 |
| InChI Key: | CCAGCFOQAFQXHA-UHFFFAOYSA-N |