Basic information
- Standard SMILES
CCC[C@H]1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1C(=O)COc1ccc(Cl)s1- InChIKey
PDZBZJIOBNYCCF-KRWDZBQOSA-N- Molecular formula
- C22H24ClN5O3S
- Average molar mass
- 474 g/mol
- Monoisotopic mass
- 473.1288385
Names & identifiers
- Preferred name
- 1-(4-Amino-quinazolin-7-ylmethyl)-4-[(5-chloro-thiophen-2-yloxy)-acetyl]-3-(S)-propyl-piperazin-2-one
- IUPAC
- (3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)oxyacetyl]-3-propylpiperazin-2-one
Names & synonyms
SCHEMBL1654394PDZBZJIOBNYCCF-KRWDZBQOSA-N1-(4-Amino-quinazolin-7-ylmethyl)-4-[(5-chloro-thiophen-2-yloxy)-acetyl]-3-(S)-propyl-piperazin-2-one
Database identifiers
- PubChem CID
- 9956530
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 673
Related reactions
1 records
Compound notes
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