Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCNc1cc2ncnc(NCCCCCN3CCSCC3)c2cc1[N+](=O)[O-]- InChIKey
BWHHKXGHHGXPMJ-UHFFFAOYSA-N- Molecular formula
- C19H28N6O2S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.19944533
Names & identifiers
- Preferred name
- 7-Ethylamino-6-nitro-4-(5-thiomorpholinopentylamino)quinazoline
- IUPAC
- 7-N-ethyl-6-nitro-4-N-(5-thiomorpholin-4-ylpentyl)quinazoline-4,7-diamine
Names & synonyms
SCHEMBL8825582BWHHKXGHHGXPMJ-UHFFFAOYSA-N7-ethylamino-6-nitro-4-(5-thiomorpholinopentylamino)quinazoline
Database identifiers
- PubChem CID
- 22921815
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 474
Related reactions
2 records
Compound notes
Loading…