8-(benzenesulfonyl)-1-[(3-methylthiophen-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(3-methylthiophen-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(3-methylthiophen-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1136 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(3-methylthiophen-2-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 421.58 |
| Molecular Formula: | C20 H27 N3 O3 S2 |
| Smiles: | Cc1ccsc1CN1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1701 |
| logD: | 2.0981 |
| logSw: | -2.6053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.863 |
| InChI Key: | COSKRIBMBYIWIZ-UHFFFAOYSA-N |