11-(4-Chlorophenyl)-8-(2-phenylethenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
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Basic information
- CAS
1005087-60-4- Standard SMILES
O=C1C2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)C2C(=O)N1c1ccc(Cl)cc1- InChIKey
CVVBKVWGDKMAIP-UHFFFAOYSA-N- Molecular formula
- C22H15ClN2O3S2
- Average molar mass
- 455 g/mol
- Monoisotopic mass
- 454.0212624
Names & identifiers
- Preferred name
- 11-(4-Chlorophenyl)-8-(2-phenylethenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
- IUPAC
- 11-(4-chlorophenyl)-8-(2-phenylethenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
- English name
- 6-(4-chlorophenyl)-8-(2-phenylvinyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
- Molecular formula
- C22H15ClN2O3S2
- Molecular weight
- 454.95
Names & synonyms
6-(4-chlorophenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trioneEU-0048117Pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(6H)-trione, 6-(4-chlorophenyl)-3,4a,7a,8-tetrahydro-8-(2-phenylethenyl)-6-(4-chlorophenyl)-8-(2-phenylvinyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Database identifiers
- CAS
1005087-60-4- PubChem CID
- 4252380
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 815
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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