Basic information
- Standard SMILES
CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(-c2ncc(Cc3ccc(F)cc3)s2)c(O)c1=O- InChIKey
DLGHKVGOAZPZEU-UHFFFAOYSA-N- Molecular formula
- C25H26FN5O4S
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- N'-(2-(5-(4-Fluorobenzyl)-1,3-thiazol-2-yl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide
- IUPAC
- N-[4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]-N',N'-dimethyloxamide
Names & synonyms
SCHEMBL9905386DLGHKVGOAZPZEU-UHFFFAOYSA-NN-[[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-hydroxy-oxo-[?]yl]-N',N'-dimethyl-oxamideN'-(2-(5-(4-Fluorobenzyl)-1,3-thiazol-2-yl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide
Database identifiers
- PubChem CID
- 136159586
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 985
Related reactions
1 records
Compound notes
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