Basic information
- Standard SMILES
COc1ccc2c(c1)S(=O)(=O)CCN(c1cc(NCC3(CN)COC3)c3cc(Cl)ccc3n1)C2- InChIKey
SYEFLGFRQKYLDZ-UHFFFAOYSA-N- Molecular formula
- C24H27ClN4O4S
- Average molar mass
- 503 g/mol
- Monoisotopic mass
- 502.1441542
Names & identifiers
- Preferred name
- N-{[3-(Aminomethyl)oxetan-3-yl]methyl}-6-chloro-2-(8-methoxy-1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinolin-4-amine
- IUPAC
- N-[[3-(aminomethyl)oxetan-3-yl]methyl]-6-chloro-2-(8-methoxy-1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)quinolin-4-amine
Names & synonyms
SCHEMBL14692861SYEFLGFRQKYLDZ-UHFFFAOYSA-NN-{[3-(Aminomethyl)oxetan-3-yl]methyl}-6-chloro-2-(8-methoxy-1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinolin-4-amine
Database identifiers
- PubChem CID
- 71255867
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
Loading…