AC1NQM18
4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid
Also Known As: DIOX2_016343|4-(3-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}anilino)-4-oxobutanoic acid|4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid
| Molecular Formula | C29H29N5O7S |
|---|---|
| Molecular Weight | 591.1788 g/mol |
| LogP | 4.0012 |
| Topological Polar Surface Area | 168.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 591.1788 |
| Monoisotopic Mass | 591.1788 |
| Heavy Atoms | 42 |
| Complexity | 1513.5641 |
Chemical Identifiers
| CAS Number | 6096-07-7 |
|---|---|
| SMILES | C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCC(=O)O)CSC4=NN=NN4C5=CC=C(C=C5)O |
Product Overview
AC1NQM18 (CAS 6096-07-7), with molecular formula C29H29N5O7S and molecular weight 591.1788 g/mol. IUPAC: 4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid.
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