10-(2-furyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one
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Basic information
- CAS
851264-58-9- Standard SMILES
CC1(C)CC(=O)C2=C(C1)Nc1cccnc1NC2c1ccco1- InChIKey
IEJPXEUAPVBZRP-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.14772686
Names & identifiers
- Preferred name
- 10-(2-furyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one
- IUPAC
- 6-(furan-2-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one
- English name
- 10-(2-Furyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-one
- Molecular formula
- C18H19N3O2
- Molecular weight
- 309.36
Names & synonyms
851264-58-910-(2-furyl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-oneMFCD0854770710-(Furan-2-yl)-7,7-dimethyl-7,8,10,11-tetrahydro-5H-benzo[e]pyrido[2,3-b][1,4]diazepin-9(6H)-one9H-pyrido[3,2-b][1,4]benzodiazepin-9-one, 10-(2-furanyl)-5,6,7,8,10,11-hexahydro-7,7-dimethyl-10-(furan-2-yl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-pyrido[3,2-b][1,4]benzodiazepin-9-oneALBB-013058STK262402STK653140AKOS002332114AKOS005583850AKOS016250992
Show more names
A4207/01790876-furan-2-yl-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one
LS-04074CS-0315546H302246-(2-furyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one10-(FURAN-2-YL)-14,14-DIMETHYL-2,7,9-TRIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3(8),4,6-TETRAEN-12-ONE10-(Furan-2-yl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-benzo[e]pyrido[2,3-b][1,4]diazepin-9-one10-(furan-2-yl)-7,7-dimethyl-7,8,10,11-tetrahydro-6H-pyrido[3,2-b][1,4]benzodiazepin-9-ol6-(furan-2-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one
Database identifiers
- CAS
851264-58-9- PubChem CID
- 12989975
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Melting point
- 244 · 244-245 °C(Solv: ethanol (64-17-5))
- Boiling point
- 502.9 · 502.9±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 5.33 · 5.33±0.60(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
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Compound notes
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