Basic information
- Standard SMILES
COc1cc(CN(C(=O)c2sc3c(F)ccc(F)c3c2Cl)C2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc(-c2ccncc2)c1- InChIKey
YZBCJDUALUZHCS-UHFFFAOYSA-N- Molecular formula
- C34H36ClF2N3O4S
- Average molar mass
- 656.2 g/mol
- Monoisotopic mass
- 655.2083118
Names & identifiers
- Preferred name
- tert-Butyl {4-[(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-(3-methoxy-5-pyridin-4-yl-benzyl)-amino]-cyclohexyl}-methyl-carbamate
- IUPAC
- tert-butyl N-[4-[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-[(3-methoxy-5-pyridin-4-ylphenyl)methyl]amino]cyclohexyl]-N-methylcarbamate
Names & synonyms
SCHEMBL12678711YZBCJDUALUZHCS-UHFFFAOYSA-Ntert-Butyl {4-[(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-(3-methoxy-5-pyridin-4-yl-benzyl)-amino]-cyclohexyl}-methyl-carbamatetert-Butyl{4-[(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-(3-methoxy-5-pyridin-4-yl-benzyl)-amino]-cyclohexyl}-methyl-carbamate
Database identifiers
- PubChem CID
- 59683545
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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