8-(benzenesulfonyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1058 |
| Compound Name: | 8-(benzenesulfonyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | Cn1cccc1C(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2184 |
| logD: | 1.2184 |
| logSw: | -2.3217 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.177 |
| InChI Key: | QYGHLBVIUKXQQN-UHFFFAOYSA-N |