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303153-00-6 | 1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide
CAS No: 303153-00-6 Catalog No: AG00IULV MDL No:MFCD00664179
Product Description
Catalog Number:
AG00IULV
Chemical Name:
1'-(pyrimidin-2-yl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide
CAS Number:
303153-00-6
Molecular Formula:
C15H20N6O4
Molecular Weight:
348.3571
MDL Number:
MFCD00664179
IUPAC Name:
1'-pyrimidin-2-ylspiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carbohydrazide
InChI:
InChI=1S/C15H20N6O4/c16-19-13(22)12-10-8-23-15(24-9-11(10)25-20-12)2-6-21(7-3-15)14-17-4-1-5-18-14/h1,4-5,10-11H,2-3,6-9,16H2,(H,19,22)
InChI Key:
LLDVBSYIFZCNBW-UHFFFAOYSA-N
SMILES:
NNC(=O)C1=NOC2C1COC1(OC2)CCN(CC1)c1ncccn1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.155g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.363g/mol
Monoisotopic Mass:
348.155g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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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