Basic information
- CAS
17278-95-4- Standard SMILES
NC(N)=NCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1- InChIKey
IKWSULXYCUQIIT-UHFFFAOYSA-N- Molecular formula
- C24H27N5O3
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.21138974
Names & identifiers
- Preferred name
- Benzyl {5-[(diaminomethylidene)amino]-1-[(naphthalen-2-yl)amino]-1-oxopentan-2-yl}carbamate
- IUPAC
- benzyl N-[5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]carbamate
Names & synonyms
17278-95-4NSC164092DTXSID00329844NSC-164092Benzyl {5-[(diaminomethylidene)amino]-1-[(naphthalen-2-yl)amino]-1-oxopentan-2-yl}carbamate
Database identifiers
- CAS
17278-95-4- PubChem CID
- 424372
- DTXSID
DTXSID00329844
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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