AC1NQBOP
benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate
Also Known As: DIOX2_001649|4,7-Dihydroxy-cumarin-3-carbonsaeure|Benzyl (1-(4-(4-(4-(hydroxymethyl)phenyl)-5-methyl-6-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-1,3-dioxan-2-yl)benzyl)-2,5-dioxopyrrolidin-3-yl)carbamate|Benzyl (1-{[4-(4-[4-(hydroxymethyl)phenyl]-5-methyl-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3-dioxan-2-yl)phenyl]methyl}-2,5-dioxopyrrolidin-3-yl)carbamate|benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate|BENZYL N-[1-[[4-[4-[4-(HYDROXYMETHYL)PHENYL]-5-METHYL-6-[(1-METHYLTETRAZOL-5-YL)SULFANYLMETHYL]-1,3-DIOXAN-2-YL]PHENYL]METHYL]-2,5-DIOXO-PYRROLIDIN-3-YL]CARBAMATE|Benzyl(1-(4-(4-(4-(hydroxymethyl)phenyl)-5-methyl-6-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-1,3-dioxan-2-yl)benzyl)-2,5-dioxopyrrolidin-3-yl)carbamate
| Molecular Formula | C34H36N6O7S |
|---|---|
| Molecular Weight | 672.23663 g/mol |
| LogP | 3.84 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 672.23663 |
| Monoisotopic Mass | 672.23663 |
| Heavy Atoms | 48 |
| Complexity | 1720.0211 |
Chemical Identifiers
| CAS Number | 6087-75-8 |
|---|---|
| SMILES | CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NN=NN6C |
Product Overview
AC1NQBOP (CAS 6087-75-8), with molecular formula C34H36N6O7S and molecular weight 672.23663 g/mol. IUPAC: benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate.