8-(benzenesulfonyl)-1-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1242 |
| Compound Name: | 8-(benzenesulfonyl)-1-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 509.62 |
| Molecular Formula: | C20 H23 N5 O5 S3 |
| Smiles: | C1CN(CCC(NCCN(C1)S(c1cccc2c1nsn2)(=O)=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4096 |
| logD: | 1.4096 |
| logSw: | -2.284 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.775 |
| InChI Key: | SARKZSPWLXGAEQ-UHFFFAOYSA-N |