8-(benzenesulfonyl)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1062 |
| Compound Name: | 8-(benzenesulfonyl)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9884 |
| logD: | 1.9884 |
| logSw: | -2.5949 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.649 |
| InChI Key: | LYJMAYGEBCAKPD-UHFFFAOYSA-N |