3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | D097-0040 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate |
| Molecular Weight: | 481.95 |
| Molecular Formula: | C25 H20 Cl N O5 S |
| Smiles: | CCCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)[Cl])=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5161 |
| logD: | 5.5161 |
| logSw: | -5.9363 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.085 |
| InChI Key: | KLKJNBHEQVNIER-UHFFFAOYSA-N |