8-(benzenesulfonyl)-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-0991 |
| Compound Name: | 8-(benzenesulfonyl)-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C19 H23 N3 O4 S2 |
| Smiles: | C1CN(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2967 |
| logD: | 1.2967 |
| logSw: | -2.2769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.779 |
| InChI Key: | OUTLCDZSUSYBNZ-UHFFFAOYSA-N |