3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | D097-0045 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-nitrobenzoate |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C25 H20 N2 O7 S |
| Smiles: | CCCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)[N+]([O-])=O)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.847 |
| logD: | 4.847 |
| logSw: | -4.7132 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.466 |
| InChI Key: | MXQVYZQXECXISA-UHFFFAOYSA-N |