Basic information
- CAS
72593-18-1- Standard SMILES
Cc1ccc(C(=O)NCCN2CCN3Cc4[nH]c5ccccc5c4CC3C2)cc1- InChIKey
BQBAZUHDBVHMNU-UHFFFAOYSA-N- Molecular formula
- C24H28N4O
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.22631153
Names & identifiers
- Preferred name
- Benzamide, 4-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-4-methyl-
- IUPAC
- 4-methyl-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide
Names & synonyms
Benzamide, 4-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-4-methyl-72593-18-1RefChem:1077968BRN 4578957NSC600792NSC-600792
Database identifiers
- CAS
72593-18-1- PubChem CID
- 51630
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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