N-1,3-benzodioxol-5-yl-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Basic information
- CAS
1185125-51-2- Standard SMILES
CN1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCO4)C(c2ccc(F)cc2)c2cccn2-3)C1- InChIKey
APGQEDFOSKLZKD-UHFFFAOYSA-N- Molecular formula
- C28H25FN4O3S
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.16314001
Names & identifiers
- Preferred name
- N-1,3-benzodioxol-5-yl-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-7-(4-fluorophenyl)-14-methyl-17-thia-2,8,14-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene-8-carboxamide
Names & synonyms
1185125-51-2N-1,3-benzodioxol-5-yl-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamideDTXSID101100311HMS3506E04AKOS021823889N-(1,3-benzodioxol-5-yl)-7-(4-fluorophenyl)-14-methyl-17-thia-2,8,14-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene-8-carboxamideN-(1,3-BENZODIOXOL-5-YL)-4-(4-FLUOROPHENYL)-9-METHYL-7,8,9,10-TETRAHYDRO-4H-PYRIDO[4',3':4,5]THIENO[3,2-F]PYRROLO[1,2-A][1,4]DIAZEPINE-5(6H)-CARBOXAMIDEN-1,3-Benzodioxol-5-yl-4-(4-fluorophenyl)-7,8,9,10-tetrahydro-9-methyl-4H-pyrido[4a(2),3a(2):4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Database identifiers
- CAS
1185125-51-2- PubChem CID
- 53007481
- DTXSID
DTXSID101100311
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 846
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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