(1R,4R,5Z,12R,13S,16Z)-26-(8-Hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Basic information
- CAS
154466-37-2- Standard SMILES
Oc1cccc2c1[nH]c1c(C3=C[C@H]4CCN5CCCC/C=C\CC[C@@]3(O)[C@@H]3N6CCCC/C=C\[C@H]6CC34C5)nccc12- InChIKey
NJWZIVLVINWAQS-VZAHDCKLSA-N- Molecular formula
- C36H44N4O2
- Average molar mass
- 564.8 g/mol
- Monoisotopic mass
- 564.34642666
Names & identifiers
- Preferred name
- (1R,4R,5Z,12R,13S,16Z)-26-(8-Hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
- IUPAC
- (1R,4R,5Z,12R,13S,16Z)-26-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Names & synonyms
(1R,4R,5Z,12R,13S,16Z)-26-(8-Hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Database identifiers
- CAS
154466-37-2- PubChem CID
- 6444296
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,090
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Compound notes
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