8-(benzenesulfonyl)-1-[(pyridin-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(pyridin-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(pyridin-2-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1157 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(pyridin-2-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | C1CN(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)Cc1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 0.7512 |
| logD: | 0.7143 |
| logSw: | -2.3543 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.387 |
| InChI Key: | OIFNSVIUFGGVBQ-UHFFFAOYSA-N |