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917957-25-6 | METHANONE, 1-AZETIDINYL[(8S)-3,6,7,8-TETRAHYDRO-2,3-DIMETHYL-8-(2-METHYLPHENYL)PYRANO[2,3-E]BENZIMIDAZOL-5-YL]-
CAS No: 917957-25-6 Catalog No: AG006ALB MDL No:
Product Description
Catalog Number:
AG006ALB
Chemical Name:
METHANONE, 1-AZETIDINYL[(8S)-3,6,7,8-TETRAHYDRO-2,3-DIMETHYL-8-(2-METHYLPHENYL)PYRANO[2,3-E]BENZIMIDAZOL-5-YL]-
CAS Number:
917957-25-6
Molecular Formula:
C23H25N3O2
Molecular Weight:
375.4635
IUPAC Name:
azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone
InChI:
InChI=1S/C23H25N3O2/c1-14-7-4-5-8-16(14)20-10-9-17-18(23(27)26-11-6-12-26)13-19-21(22(17)28-20)24-15(2)25(19)3/h4-5,7-8,13,20H,6,9-12H2,1-3H3/t20-/m0/s1
InChI Key:
ZSYMQWFFNGCWPV-FQEVSTJZSA-N
SMILES:
O=C(c1cc2c(c3c1CC[C@H](O3)c1ccccc1C)nc(n2C)C)N1CCC1
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
375.195g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.472g/mol
Monoisotopic Mass:
375.195g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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