8-(benzenesulfonyl)-1-(4-methoxybenzoyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(4-methoxybenzoyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(4-methoxybenzoyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-0993 |
| Compound Name: | 8-(benzenesulfonyl)-1-(4-methoxybenzoyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | COc1ccc(cc1)C(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1427 |
| logD: | 1.1427 |
| logSw: | -2.3343 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.304 |
| InChI Key: | WYSXEJNHGPERCR-UHFFFAOYSA-N |