4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(3,4-dimethoxyphenyl)-
Basic information
- CAS
136334-18-4- Standard SMILES
COc1ccc(C2NCc3sccc3-n3cccc32)cc1OC- InChIKey
QSRNNQXCPZJKPM-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.10889899
Names & identifiers
- Preferred name
- 4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(3,4-dimethoxyphenyl)-
- IUPAC
- 9-(3,4-dimethoxyphenyl)-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene
Names & synonyms
BRN 48457265,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine136334-18-44H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(3,4-dimethoxyphenyl)-RefChem:297884DTXSID109293346-(3,4-Dimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[2,3-f][1,4]diazepine
Database identifiers
- CAS
136334-18-4- PubChem CID
- 3077906
- DTXSID
DTXSID10929334- Nikkaji
- J423.264J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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