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Basic information
- Standard SMILES
COc1ccc2c(c1)c(=O)c1c(NCCNCCO)ccc3c(=O)n(CCN(C)C)c(=O)n2c31- InChIKey
PMHHRBRBOOKJQO-UHFFFAOYSA-N- Molecular formula
- C24H29N5O5
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.21686904
Names & identifiers
- Preferred name
- 15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
- IUPAC
- 15-[2-(dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
Names & synonyms
NCI60_032985CHEMBL82722
Database identifiers
- PubChem CID
- 392064
- ChEMBL
CHEMBL82722- Nikkaji
- J1.142.969F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 764
Related reactions
0 records
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Compound notes
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