8-(benzenesulfonyl)-1-(5-methylthiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(5-methylthiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(5-methylthiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1001 |
| Compound Name: | 8-(benzenesulfonyl)-1-(5-methylthiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C20 H25 N3 O4 S2 |
| Smiles: | Cc1ccc(C(N2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.9326 |
| logD: | 1.9326 |
| logSw: | -2.5781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.779 |
| InChI Key: | BHPMWHVTQABLFU-UHFFFAOYSA-N |