200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 329079-89-2
329079-89-2 | 2-{[(4-nitrophenyl)methyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one
CAS No: 329079-89-2 Catalog No: AG00IWU4 MDL No:MFCD00514429
Product Description
Catalog Number:
AG00IWU4
Chemical Name:
2-{[(4-nitrophenyl)methyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one
CAS Number:
329079-89-2
Molecular Formula:
C21H15N3O3S
Molecular Weight:
389.4271
MDL Number:
MFCD00514429
IUPAC Name:
2-[(4-nitrophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
InChI:
InChI=1S/C21H15N3O3S/c25-20-18-8-4-5-9-19(18)22-21(23(20)16-6-2-1-3-7-16)28-14-15-10-12-17(13-11-15)24(26)27/h1-13H,14H2
InChI Key:
FTNSFKAFDNIENS-UHFFFAOYSA-N
SMILES:
O=c1n(c2ccccc2)c(SCc2ccc(cc2)[N+](=O)[O-])nc2c1cccc2
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.083g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.429g/mol
Monoisotopic Mass:
389.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.