1-Methyl-cyclopropanesulfonic acid [18-ethoxymethoxy-14-(4-methoxy-benzyl)-2,15-dioxo-3,14,16-triaza-tricyclo[14.3.0.0*4,6*]nonadec-7-ene-4-carbonyl]-amide
Basic information
- Standard SMILES
CCOCOC1CC2C(=O)NC3(C(=O)NS(=O)(=O)C4(C)CC4)CC3C=CCCCCCN(Cc3ccc(OC)cc3)C(=O)N2C1- InChIKey
VEYSPWBYFMUJJN-UHFFFAOYSA-N- Molecular formula
- C32H46N4O8S
- Average molar mass
- 646.8 g/mol
- Monoisotopic mass
- 646.30363561
Names & identifiers
- Preferred name
- 1-Methyl-cyclopropanesulfonic acid [18-ethoxymethoxy-14-(4-methoxy-benzyl)-2,15-dioxo-3,14,16-triaza-tricyclo[14.3.0.0*4,6*]nonadec-7-ene-4-carbonyl]-amide
- IUPAC
- 18-(ethoxymethoxy)-14-[(4-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
Names & synonyms
VEYSPWBYFMUJJN-UHFFFAOYSA-N1-Methyl-cyclopropanesulfonic acid [18-ethoxymethoxy-14-(4-methoxy-benzyl)-2,15-dioxo-3,14,16-triaza-tricyclo[14.3.0.0*4,6*]nonadec-7-ene-4-carbonyl]-amide
Database identifiers
- PubChem CID
- 72236617
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
2 records
Compound notes
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