2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-methyl-4-nitrobenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | K606-0198 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(=O)OCCN(C1c2ccccc2S(N=1)(=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5793 |
| logD: | 4.5793 |
| logSw: | -4.4061 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.94 |
| InChI Key: | KMSAWRWMLSVRGN-UHFFFAOYSA-N |