2-[benzyl(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
2-[benzyl(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate
2-[benzyl(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | K606-0188 |
| Compound Name: | 2-[benzyl(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C24 H21 N3 O6 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5689 |
| logD: | 4.5689 |
| logSw: | -4.4399 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.528 |
| InChI Key: | BVIAFBDCEQZWCV-UHFFFAOYSA-N |