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306979-39-5 | 2-Thiophenecarboxamide, N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-
CAS No: 306979-39-5 Catalog No: AG0030ZE MDL No:
Product Description
Catalog Number:
AG0030ZE
Chemical Name:
2-Thiophenecarboxamide, N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-
CAS Number:
306979-39-5
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
IUPAC Name:
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide
InChI:
InChI=1S/C17H13N3OS/c21-16(14-6-3-9-22-14)20-17-18-10-12-8-7-11-4-1-2-5-13(11)15(12)19-17/h1-6,9-10H,7-8H2,(H,18,19,20,21)
InChI Key:
KIWRFBMYXOFTFQ-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)Nc1ncc2c(n1)c1ccccc1CC2
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.371g/mol
Monoisotopic Mass:
307.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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 |
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