Basic information
- Standard SMILES
COC(=O)C1CCC(NC(=O)c2cc3cc(F)ccc3[nH]2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1- InChIKey
KFAQKNVKCLJTQK-UHFFFAOYSA-N- Molecular formula
- C25H28FN5O4S
- Average molar mass
- 513.6 g/mol
Names & identifiers
- Preferred name
- methyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
- IUPAC
- methyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
Database identifiers
- PubChem CID
- 72436089
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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