3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Chemical Structure Depiction of
3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | D239-0029 |
| Compound Name: | 3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H26 N2 O5 S |
| Smiles: | Cc1ccc(cc1)C(=O)OC1=C(C(c2ccccc2)=O)N(CCN(C)C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4254 |
| logD: | 4.2311 |
| logSw: | -4.3274 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.95 |
| InChI Key: | HCERIMGLNIXJRS-UHFFFAOYSA-N |