200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 81224-03-5
81224-03-5 | 3H-Thieno[2,3-d]-1,3-diazepine, 3-benzoyl-2,5-dimethyl-
CAS No: 81224-03-5 Catalog No: AG004Z5A MDL No:
Product Description
Catalog Number:
AG004Z5A
Chemical Name:
3H-Thieno[2,3-d]-1,3-diazepine, 3-benzoyl-2,5-dimethyl-
CAS Number:
81224-03-5
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
IUPAC Name:
(2,5-dimethylthieno[2,3-d][1,3]diazepin-3-yl)-phenylmethanone
InChI:
InChI=1S/C16H14N2OS/c1-11-10-18(16(19)13-6-4-3-5-7-13)12(2)17-15-14(11)8-9-20-15/h3-10H,1-2H3
InChI Key:
OUSFNKJDRNGTDK-UHFFFAOYSA-N
SMILES:
CC1=Nc2sccc2C(=CN1C(=O)c1ccccc1)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.361g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.