Basic information
- CAS
50332-38-2- Standard SMILES
O=C(c1cccs1)C1CCCCc2[nH]c3cc4c(cc3c21)OCO4- InChIKey
GTMIIGKBGLFXQL-UHFFFAOYSA-N- Molecular formula
- C19H17NO3S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.09291458
Names & identifiers
- Preferred name
- Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(2-thenoyl)-
- IUPAC
- 13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl(thiophen-2-yl)methanone
- English name
- 5,6,7,8,9,10-Hexahydro-5-[(2-thienyl)carbonyl]cyclohepta[b]-1,3-dioxolo[4,5-f]indole
- Molecular formula
- C19H17NO3S
- Molecular weight
- 339.41
Names & synonyms
50332-38-2CYCLOHEPTA(b)-1,3-DIOXOLO(4,5-f)INDOLE, 5,6,7,8,9,10-HEXAHYDRO-5-(2-THENOYL)-5-(2-Thenoyl)-5,6,7,8,9,10-hexahydrocyclohepta(b)-1,3-dioxolo(4,5-f)indoleCyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-tetrahydro-5-(2-thienylcarbonyl)RefChem:335038DTXSID309646215,6,7,8,9,10-Hexahydro-5-[(2-thienyl)carbonyl]cyclohepta[b]-1,3-dioxolo[4,5-f]indole(5,6,7,8,9,10-Hexahydro-2H-cyclohepta[b][1,3]dioxolo[4,5-f]indol-10-yl)(thiophen-2-yl)methanoneMethanone, (7,8,9,10-tetrahydrocyclohepta[b]-1,3-dioxolo[4,5-f]indol-5(6H)-yl)-2-thienyl-
Database identifiers
- CAS
50332-38-2- PubChem CID
- 39640
- DTXSID
DTXSID30964621
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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