CID 11838723
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Basic information
- CAS
923552-62-9- Standard SMILES
COc1cc(Cl)c(C)cc1NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1- InChIKey
QIXJQPXJUOAERD-UHFFFAOYSA-N- Molecular formula
- C21H21ClN4O2S
- Average molar mass
- 428.9 g/mol
- Monoisotopic mass
- 428.1073748
Names & identifiers
- Preferred name
- CID 11838723
- IUPAC
- 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-7-thia-1,9-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
- English name
- 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
- Molecular formula
- C21H21ClN4O2S
- Molecular weight
- 428.93504
Names & synonyms
AM-807/43303211AKOS0041122355-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-7-thia-1,9-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
Database identifiers
- CAS
923552-62-9- PubChem CID
- 11838723
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
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Compound notes
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