Basic information
- CAS
94731-74-5- Standard SMILES
O=C(CCCNc1c2ccccc2nc2ccccc12)NCCCNc1c2ccccc2nc2ccccc12- InChIKey
NFCFNUUMBMNVLF-UHFFFAOYSA-N- Molecular formula
- C33H31N5O
- Average molar mass
- 513.6 g/mol
- Monoisotopic mass
- 513.25286063
Names & identifiers
- Preferred name
- Butanamide, 4-(9-acridinylamino)-N-(3-(9-acridinylamino)propyl)-
- IUPAC
- 4-(acridin-9-ylamino)-N-[3-(acridin-9-ylamino)propyl]butanamide
Names & synonyms
Butanamide, 4-(9-acridinylamino)-N-(3-(9-acridinylamino)propyl)-94731-74-54-(9-Acridinylamino)-N-(3-(9-acridinylamino)propyl)butanamideCHEMBL38767DTXSID702415894-[(Acridin-9-yl)amino]-N-{3-[(acridin-9-yl)amino]propyl}butanamide
Database identifiers
- CAS
94731-74-5- PubChem CID
- 150384
- DTXSID
DTXSID70241589- ChEMBL
CHEMBL38767
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 733
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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