The Biofilms Structural Database
Name
6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
Molecular Weight
361.89
Isomeric SMILES
CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl
Formula
C18H20ClN3OS
Identifiers
6-chloranyl-3-[(2-hexyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
Formal Charge
0
InChI
InChI=1S/C18H20ClN3OS/c1-2-3-4-5-6-17-21-14(11-24-17)10-22-12-20-16-8-7-13(19)9-15(16)18(22)23/h7-9,11-12H,2-6,10H2,1H3
Atom Count
44
InChIKey
YNXMDRHVOXTCAK-UHFFFAOYSA-N
PDB codes
6YZ3
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
46
Aromatic Bond Count
11
Leaving Atoms