Basic information
- Standard SMILES
O=C1c2cc3cc(OCc4ccccc4)ccc3n2CCCN1CC1CC1- InChIKey
VMNMFHRPWKTPLF-UHFFFAOYSA-N- Molecular formula
- C23H24N2O2
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.18377801
Names & identifiers
- Preferred name
- 9-Benzyloxy-2-cyclopropylmethyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
- IUPAC
- 2-(cyclopropylmethyl)-9-phenylmethoxy-4,5-dihydro-3H-[1,4]diazepino[1,2-a]indol-1-one
Names & synonyms
SCHEMBL2982450VMNMFHRPWKTPLF-UHFFFAOYSA-N9-Benzyloxy-2-cyclopropylmethyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
Database identifiers
- PubChem CID
- 68465711
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Related reactions
2 records
Compound notes
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