N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2440 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-beta-alaninamide |
| Molecular Weight: | 394.51 |
| Molecular Formula: | C17 H22 N4 O3 S2 |
| Smiles: | C1CCC(CCNC(CCNS(c2cccc3c2nsn3)(=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.171 |
| logD: | 2.1671 |
| logSw: | -2.5592 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.296 |
| InChI Key: | GNNIRMXRBJRUEB-UHFFFAOYSA-N |