8-(benzenesulfonyl)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1101 |
| Compound Name: | 8-(benzenesulfonyl)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C20 H27 N5 O4 S |
| Smiles: | CCn1c(ccn1)C(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.099 |
| logD: | 0.099 |
| logSw: | -2.239 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.849 |
| InChI Key: | CBGIFFMJGFZWFB-UHFFFAOYSA-N |