3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8003-7440 |
| Compound Name: | 3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C15 H17 N3 O4 S |
| Smiles: | C1CCC(CCNC2c3ccc(cc3S(N=2)(=O)=O)[N+]([O-])=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.4896 |
| logD: | 2.4895 |
| logSw: | -2.9714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.582 |
| InChI Key: | DETQIPDMNCMKGF-UHFFFAOYSA-N |