NSC47083
3-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: Oprea1_718160|1,1-Bis-aethansulfonyl-2-methyl-octan|NCI60_004109|7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[(4-pyridinylmethyl)amino]carbonyl]-|2-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid|2-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-en|3-[(pyridin-4-ylmethyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-(((4-pyridinylmethyl)amino)carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-((Pyridin-4-ylmethyl)carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-[N-(4-pyridylmethyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic ac id|3-{[(4-pyridinylmethyl)amino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-{[(Pyridin-4-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-{[(4-PYRIDYLMETHYL)AMINO]CARBONYL}-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.09537 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.09537 |
| Monoisotopic Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 7147-13-9 |
|---|---|
| SMILES | C1=CC2C(C(C1O2)C(=O)NCC3=CC=NC=C3)C(=O)O |
| InChIKey | NJOCHFDYBDTNNY-UHFFFAOYSA-N |
Product Overview
NSC47083 (CAS 7147-13-9), with molecular formula C14H14N2O4 and molecular weight 274.09537 g/mol. IUPAC: 3-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.