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370071-21-9 | 4-{8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-yl}piperazine-1-carbaldehyde
CAS No: 370071-21-9 Catalog No: AG01A0U4 MDL No:MFCD01089249
Product Description
Catalog Number:
AG01A0U4
Chemical Name:
4-{8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-yl}piperazine-1-carbaldehyde
CAS Number:
370071-21-9
Molecular Formula:
C15H18N4OS
Molecular Weight:
302.3946
MDL Number:
MFCD01089249
IUPAC Name:
4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C15H18N4OS/c20-10-18-5-7-19(8-6-18)14-13-11-3-1-2-4-12(11)21-15(13)17-9-16-14/h9-10H,1-8H2
InChI Key:
SXCSEHLADZXDQH-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)c1ncnc2c1c1CCCCc1s2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.396g/mol
Monoisotopic Mass:
302.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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