8-(benzenesulfonyl)-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S764-1172 |
Compound Name: | 8-(benzenesulfonyl)-1-({3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl}methyl)-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 540.68 |
Molecular Formula: | C28 H36 N4 O5 S |
Smiles: | Cc1c(Cc2cc(CN3CCCN(CCC(NCC3)=O)S(c3ccccc3)(=O)=O)ccc2OC)c(C)on1 |
Stereo: | ACHIRAL |
logP: | 2.7162 |
logD: | 2.595 |
logSw: | -3.413 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.241 |
InChI Key: | RXWBQDXBWWLUKH-UHFFFAOYSA-N |