Basic information
- Standard SMILES
O=C(Nc1cccc(CO)c1)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O- InChIKey
XWGBGDFVJFKEBH-UHFFFAOYSA-N- Molecular formula
- C33H34FN5O4
- Average molar mass
- 583.7 g/mol
Names & identifiers
- Preferred name
- N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-hydroxymethylphenyl)urea
- IUPAC
- 1-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(hydroxymethyl)phenyl]urea
Names & synonyms
SCHEMBL9054501XWGBGDFVJFKEBH-UHFFFAOYSA-NN-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'- (3-hydroxymethylphenyl)ureaN-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-hydroxymethylphenyl)urea
Database identifiers
- PubChem CID
- 19081130
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
3 records
Linked notes
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