3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 3-methyl-4-nitrobenzoate
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | K606-0090 |
| Compound Name: | 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(=O)OCCCNC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9432 |
| logD: | 2.9432 |
| logSw: | -3.6672 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.136 |
| InChI Key: | HGPGGMHCXSNEPS-UHFFFAOYSA-N |