Basic information
- CAS
364339-99-1- Standard SMILES
NC(=O)Cn1c(O)c(N=NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21- InChIKey
LWJFWNWSJGOXMI-UHFFFAOYSA-N- Molecular formula
- C20H17N5O6
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.11788328
Names & identifiers
- Preferred name
- N-(2-{(2Z)-2-[1-(2-amino-2-oxoethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Names & synonyms
DTXSID801107013MFCD01956419STK058916AKOS005387459ZINC100421924364339-99-1N-(2-{(2Z)-2-[1-(2-amino-2-oxoethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-1,3-benzodioxole-5-carboxamideZINC000009553366O=C(NN=C1C(=O)N(c2c1cccc2)CC(=O)N)CNC(=O)c1ccc2c(c1)OCO2C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NN=C3C4=CC=CC=C4N(C3=O)CC(=O)NGlycine, N-(1,3-benzodioxol-5-ylcarbonyl)-, [1-(2-amino-2-oxoethyl)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazideN(2((2Z)2(1(2AMINO2OXOETHYL)2OXO12DIHYDRO3HINDOL3YLIDENE)HYDRAZINYL)2OXOETHYL)13BENZODIOXOLE5CARBOXAMIDE
Show more names
N(2((2Z)2(1(2AMINO2OXOETHYL)2OXOINDOL3YLIDENE)HYDRAZINYL)2OXOETHYL)13BENZODIOXOLE5CARBOXAMIDE
Database identifiers
- CAS
364339-99-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 733
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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