Pyrazolo(3,4-e)(1,4)diazepin-7(1H)-one, 4-(2-fluorophenyl)-6,8-dihydro-1,3,8-trimethyl-, mixt. with 2-(ethylamino)-2-(2-thienyl)cyclohexanone
Basic information
- CAS
60893-97-2- Standard SMILES
CCNC1(c2cccs2)CCCCC1=O.Cc1nn(C)c2c1C(c1ccccc1O)=NCC(=O)N2C- InChIKey
CVJXIOGITZSKBB-UHFFFAOYSA-N- Molecular formula
- C27H33N5O3S
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.23041111
Names & identifiers
- Preferred name
- Pyrazolo(3,4-e)(1,4)diazepin-7(1H)-one, 4-(2-fluorophenyl)-6,8-dihydro-1,3,8-trimethyl-, mixt. with 2-(ethylamino)-2-(2-thienyl)cyclohexanone
- IUPAC
- 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;4-(2-hydroxyphenyl)-1,3,8-trimethyl-6H-pyrazolo[5,4-e][1,4]diazepin-7-one
Names & synonyms
60893-97-2Pyrazolo(3,4-e)(1,4)diazepin-7(1H)-one, 4-(2-fluorophenyl)-6,8-dihydro-1,3,8-trimethyl-, mixt. with 2-(ethylamino)-2-(2-thienyl)cyclohexanone
Database identifiers
- CAS
60893-97-2- PubChem CID
- 62175
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 697
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Compound notes
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