[8-Acetyl-9,13-dimethyl-5-(4-methylphenyl)-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl] acetate
Basic information
- CAS
58028-05-0- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC3N(c4ccc(C)cc4)N=NC32C(C)=O)C1- InChIKey
PJWNCUVKKUFJSY-UHFFFAOYSA-N- Molecular formula
- C30H39N3O3
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.29914211
Names & identifiers
- Preferred name
- [8-Acetyl-9,13-dimethyl-5-(4-methylphenyl)-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl] acetate
- IUPAC
- [8-acetyl-9,13-dimethyl-5-(4-methylphenyl)-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl] acetate
Names & synonyms
NSC23951158028-05-0DTXSID40311167NSC-2395116b-Acetyl-4a,6a-dimethyl-9-(4-methylphenyl)-1,2,3,4,4a,4b,5,6,6a,6b,9,9a,10,10a,10b,11-hexadecahydronaphtho[2',1':4,5]indeno[1,2-d][1,2,3]triazol-2-yl acetate
Database identifiers
- CAS
58028-05-0- PubChem CID
- 315230
- DTXSID
DTXSID40311167
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 999
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Compound notes
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