2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Basic information
- CAS
438217-42-6- Standard SMILES
Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1- InChIKey
OWMZSIJQASYJKG-UHFFFAOYSA-N- Molecular formula
- C23H22ClN3OS
- Average molar mass
- 424 g/mol
- Monoisotopic mass
- 423.1172112
Names & identifiers
- Preferred name
- 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
- IUPAC
- 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
- English name
- 2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methyl-2-thienyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
- Molecular formula
- C23H22ClN3OS
- Molecular weight
- 423.95828
Names & synonyms
2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methyl-2-thienyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrileOprea1_443528Oprea1_559520AK-968/41169960STK956083AKOS003308161
Database identifiers
- CAS
438217-42-6- PubChem CID
- 1766178
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
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