Basic information
- CAS
132411-89-3- Standard SMILES
CN(C)CCCN1c2ncccc2N=C(c2cccnc2)c2ccc3ccccc3c21- InChIKey
OIEWVZYUPLGFTB-UHFFFAOYSA-N- Molecular formula
- C26H25N5
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.21099582
Names & identifiers
- Preferred name
- 13H-Benzo(i)pyrido(2,3-b)(1,4)benzodiazepine-13-propanamine, N,N-dimethyl-7-(3-pyridinyl)-
- IUPAC
- N,N-dimethyl-3-(10-pyridin-3-yl-2,4,9-triazatetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3(8),4,6,9,12,14,16,18-nonaen-2-yl)propan-1-amine
Names & synonyms
13H-Benzo(i)pyrido(2,3-b)(1,4)benzodiazepine-13-propanamine, N,N-dimethyl-7-(3-pyridinyl)-N,N-Dimethyl-7-(3-pyridinyl)-13H-benzo(i)pyrido(2,3-b)(1,4)benzodiazepine-13-propanamine132411-89-3DTXSID10157534RefChem:236541DTXCID1080025N,N-Dimethyl-3-[7-(pyridin-3-yl)-13H-naphtho[1,2-e]pyrido[3,2-b][1,4]diazepin-13-yl]propan-1-amine
Database identifiers
- CAS
132411-89-3- PubChem CID
- 3076751
- DTXSID
DTXSID10157534
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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