1-[(azepan-1-yl)acetyl]-8-(benzenesulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(azepan-1-yl)acetyl]-8-(benzenesulfonyl)-1,4,8-triazacycloundecan-5-one
1-[(azepan-1-yl)acetyl]-8-(benzenesulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1112 |
| Compound Name: | 1-[(azepan-1-yl)acetyl]-8-(benzenesulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C22 H34 N4 O4 S |
| Smiles: | C1CCCN(CC1)CC(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7462 |
| logD: | 0.2243 |
| logSw: | -2.237 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.568 |
| InChI Key: | PXFILAUVTSZWGC-UHFFFAOYSA-N |