4-[10-(3-Chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]morpholine
Basic information
- CAS
87753-02-4- Standard SMILES
Clc1cccc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CCC4)c1- InChIKey
SHSBBIUTMAOQBX-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3OS
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.0859111
Names & identifiers
- Preferred name
- 4-[10-(3-Chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]morpholine
- IUPAC
- 4-[10-(3-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]morpholine
Names & synonyms
NSC37538187753-02-4DTXSID30321437NSC-3753812-(3-Chlorophenyl)-4-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
Database identifiers
- CAS
87753-02-4- PubChem CID
- 341813
- DTXSID
DTXSID30321437
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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