Basic information
- CAS
79641-13-7- Standard SMILES
COc1ccc(OC)c(NC(=O)c2c(O)cc3ccccc3c2N=Nc2ccc(S(=O)(=O)CCOC(C)=O)c(OC)c2)c1- InChIKey
QIBSZZKCSWFZAT-UHFFFAOYSA-N- Molecular formula
- C30H29N3O9S
- Average molar mass
- 607.6 g/mol
- Monoisotopic mass
- 607.16245068
Names & identifiers
- Preferred name
- 2-(((4-(2-(N-(2,5-Dimethoxyphenyl)carbamoyl)-3-hydroxynaphthyl)azo)-2-methoxyphenyl)sulphonyl)ethyl acetate
- IUPAC
- 2-[4-[[2-[(2,5-dimethoxyphenyl)carbamoyl]-3-hydroxynaphthalen-1-yl]diazenyl]-2-methoxyphenyl]sulfonylethyl acetate
Names & synonyms
79641-13-7EINECS 279-203-3QIBSZZKCSWFZAT-UHFFFAOYSA-N2-(((4-(2-(N-(2,5-Dimethoxyphenyl)carbamoyl)-3-hydroxynaphthyl)azo)-2-methoxyphenyl)sulphonyl)ethyl acetate
Database identifiers
- CAS
79641-13-7- PubChem CID
- 44146830
- EC Number
- 279-203-3
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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