4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-nitrobenzoate
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 2004-0013 |
| Compound Name: | 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-nitrobenzoate |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C21 H15 N3 O6 S |
| Smiles: | CN(C1c2ccccc2S(N=1)(=O)=O)c1ccc(cc1)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1438 |
| logD: | 3.1438 |
| logSw: | -3.6916 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.61 |
| InChI Key: | PONVSECHJBMSQD-UHFFFAOYSA-N |