Basic information
- CAS
353502-21-3- Standard SMILES
Cc1[nH]c2ccccc2c1C=c1sc2n(c1=O)C(c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1- InChIKey
HAUDFQIJTSYVTR-UHFFFAOYSA-N- Molecular formula
- C30H22BrN3OS
- Average molar mass
- 552.5 g/mol
Names & identifiers
- Preferred name
- 11-(4-bromophenyl)-14-[(2-methyl-1H-indol-3-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
- IUPAC
- 11-(4-bromophenyl)-14-[(2-methyl-1H-indol-3-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
- English name
- 7-(4-bromophenyl)-10-[(2-methyl-1H-indol-3-yl)methylene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
- Molecular formula
- C30H22BrN3OS
- Molecular weight
- 552.49
Names & synonyms
6H-Benzo[h]thiazolo[2,3-b]quinazolin-9(10H)-one, 7-(4-bromophenyl)-5,7-dihydro-10-[(2-methyl-1H-indol-3-yl)methylene]-(Z)-7-(4-bromophenyl)-10-((2-methyl-1H-indol-3-yl)methylene)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one7-(4-bromophenyl)-10-[(2-methyl-1H-indol-3-yl)methylene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Database identifiers
- CAS
353502-21-3
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 998
Physicochemical properties
- Boiling point
- 740.7 · 740.7±70.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 16.2 · 16.20±0.30(Predicted)
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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