3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | D097-0023 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate |
| Molecular Weight: | 478.48 |
| Molecular Formula: | C24 H18 N2 O7 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)[N+]([O-])=O)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3434 |
| logD: | 4.3434 |
| logSw: | -4.4491 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.213 |
| InChI Key: | JCZJVYBKVAPPKL-UHFFFAOYSA-N |