Basic information
- Standard SMILES
COc1cc(C(N)=O)ccc1Nc1ncc2c(n1)N(C(C)C)CC(F)(F)C(=O)N2C- InChIKey
MUEVHNDWICBSDE-UHFFFAOYSA-N- Molecular formula
- C19H22F2N6O3
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.17214491
Names & identifiers
- Preferred name
- 4-(7,7-difluoro-9-isopropyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzamide
- IUPAC
- 4-[(7,7-difluoro-5-methyl-6-oxo-9-propan-2-yl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide
Names & synonyms
4-(7,7-difluoro-9-isopropyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzamideSCHEMBL1560493
Database identifiers
- PubChem CID
- 44546889
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 652
Related reactions
1 records
Compound notes
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