8-(benzenesulfonyl)-1-[(pyridin-3-yl)acetyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(pyridin-3-yl)acetyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(pyridin-3-yl)acetyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1023 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(pyridin-3-yl)acetyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | C1CN(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(Cc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1522 |
| logD: | 0.1437 |
| logSw: | -1.7047 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.751 |
| InChI Key: | SQRJARYCFHRGGH-UHFFFAOYSA-N |