8-(benzenesulfonyl)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1249 |
| Compound Name: | 8-(benzenesulfonyl)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C19 H27 N5 O5 S2 |
| Smiles: | CCn1cc(cn1)S(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.054 |
| logD: | -0.054 |
| logSw: | -2.1729 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.325 |
| InChI Key: | NSQYNPUPGUOBJT-UHFFFAOYSA-N |