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1203507-02-1 | (2S,3R)-(+)-3-Isopropyl-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole98+%
CAS No: 1203507-02-1 Catalog No: AG008Y0Z MDL No:
Product Description
Catalog Number:
AG008Y0Z
Chemical Name:
(2S,3R)-(+)-3-Isopropyl-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole98+%
CAS Number:
1203507-02-1
IUPAC Name:
(2S,3R)-2-phenyl-3-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C19H20N2S/c1-13(2)15-12-21-16-10-6-7-11-17(16)22-19(21)20-18(15)14-8-4-3-5-9-14/h3-11,13,15,18H,12H2,1-2H3/t15-,18+/m0/s1
InChI Key:
RPBRMANNSNGNFS-MAUKXSAKSA-N
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
308.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.443g/mol
Monoisotopic Mass:
308.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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