N,N-dicyclopropyl-7-[(4,4-dimethoxy-1-methylsulfanyl-3-oxobut-1-enyl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=CC(=O)C(OC)OC)SC)nc21- InChIKey
LHVOTFSVFYGMIP-UHFFFAOYSA-N- Molecular formula
- C25H32N6O4S
- Average molar mass
- 512.6 g/mol
Names & identifiers
- Preferred name
- N,N-dicyclopropyl-7-[(4,4-dimethoxy-1-methylsulfanyl-3-oxobut-1-enyl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
- IUPAC
- N,N-dicyclopropyl-7-[(4,4-dimethoxy-1-methylsulfanyl-3-oxobut-1-enyl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
Names & synonyms
SCHEMBL1512258
Database identifiers
- PubChem CID
- 67059623
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 851
Related reactions
2 records
Compound notes
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