Basic information
- Standard SMILES
CN(C)CCNc1c(F)cccc1C1S[C@@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N1CCC(C)(C)C- InChIKey
DIEPWIVNBDVVHV-WXTKOERCSA-N- Molecular formula
- C35H49FN6O3S
- Average molar mass
- 652.9 g/mol
Names & identifiers
- Preferred name
- 3-(1-(2-((5S)-2-(2-(2-(dimethylamino)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetyl)piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-one
- IUPAC
- (5S)-2-[2-[2-(dimethylamino)ethylamino]-3-fluorophenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
Names & synonyms
SCHEMBL2099853DIEPWIVNBDVVHV-WXTKOERCSA-N3-(1-(2-((5S)-2-(2-(2-(dimethylamino)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetyl)piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-one
Database identifiers
- PubChem CID
- 25205686
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
1 records
Compound notes
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