Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)nc(NCC(F)CN)c2c1- InChIKey
DPCUIQRTSSDUGN-UHFFFAOYSA-N- Molecular formula
- C21H24FN5O2S
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.16347436
Names & identifiers
- Preferred name
- N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinazolin-4-yl]-2-fluoropropane-1,3-diamine
- IUPAC
- N'-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-yl]-2-fluoropropane-1,3-diamine
Names & synonyms
SCHEMBL14692213DPCUIQRTSSDUGN-UHFFFAOYSA-NN-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinazolin-4-yl]-2-fluoropropane-1,3-diamine
Database identifiers
- PubChem CID
- 71255460
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 675
Related reactions
1 records
Compound notes
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