5-[(2S)-1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-[(2S)-1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one
5-[(2S)-1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S783-0256 |
| Compound Name: | 5-[(2S)-1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C20 H27 N5 O4 S2 |
| Smiles: | C1CCCN(CCC(NCC1)=O)C([C@@H]1CCCN1S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1596 |
| logD: | 1.1596 |
| logSw: | -2.113 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.742 |
| InChI Key: | CVZGHPXMNIYUBS-INIZCTEOSA-N |