Bepafant
[9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-morpholin-4-ylmethanone
| Molecular Formula | C23H22ClN5O2S |
|---|---|
| Molecular Weight | 468.0 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 467.1183 |
| Heavy Atoms | 32 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 114776-28-2 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CC(C4)C(=O)N5CCOCC5)C(=NC2)C6=CC=CC=C6Cl |
| InChIKey | FWYVRZOREBYLCY-UHFFFAOYSA-N |
📖 Product Overview
Bepafant (CAS: 114776-28-2) is a chemical compound with molecular formula C23H22ClN5O2S and molecular weight 468.0 g/mol. Its IUPAC systematic name is [9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-morpholin-4-ylmethanone.
FWYVRZOREBYLCY-UHFFFAOYSA-N.
SMILES: CC1=NN=C2N1C3=C(C4=C(S3)CC(C4)C(=O)N5CCOCC5)C(=NC2)C6=CC=CC=C6Cl.
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