Basic information
- CAS
104713-40-8- Standard SMILES
Cc1c[nH]c2c1C13CC1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O- InChIKey
KSEVSZOOMUWSRV-UHFFFAOYSA-N- Molecular formula
- C30H23N5O3
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.18008961
Names & identifiers
- Preferred name
- U 68415
- IUPAC
- N-[2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
- English name
- 1H-Indole-2-carboxamide, N-(2-((4,5,8,8a-tetrahydro-7-methyl-4-oxocycl opropa(C)pyrrolo(3,2-e)indol-2(1H)-yl)carbonyl)-1H-indol-5-yl)-, (+-)-
- Molecular formula
- C30H23N5O3
- Molecular weight
- 501.544
Names & synonyms
U-68415U 68415RefChem:933709104713-40-8BRN 65535751H-Indole-2-carboxamide, N-(2-((4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa(C)pyrrolo(3,2-e)indol-2(1H)-yl)carbonyl)-1H-indol-5-yl)-, (+-)-CHEMBL277314SCHEMBL10525112SCHEMBL31497437DTXSID201023378N-[2-[(4,5,8,8a-Tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl)carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide1H-Indole-2-carboxamide, N-(2-((4,5,8,8a-tetrahydro-7-methyl-4-oxocycl opropa(C)pyrrolo(3,2-e)indol-2(1H)-yl)carbonyl)-1H-indol-5-yl)-, (+-)-
Database identifiers
- CAS
104713-40-8- PubChem CID
- 149663
- DTXSID
DTXSID201023378- ChEMBL
CHEMBL277314
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,090
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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