8-(benzenesulfonyl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1105 |
| Compound Name: | 8-(benzenesulfonyl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C20 H27 N5 O4 S |
| Smiles: | Cc1cc(C(N2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | -0.0218 |
| logD: | -0.0218 |
| logSw: | -2.3546 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.247 |
| InChI Key: | HLQPBUNDUNPQMH-UHFFFAOYSA-N |