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917957-11-0 | Pyrano[2,3-e]benzimidazole-5-carboxamide,3,6,7,8-tetrahydro-N,N,2,3-tetramethyl-8-(2-methylphenyl)-, (8S)-
CAS No: 917957-11-0 Catalog No: AG006MEL MDL No:
Product Description
Catalog Number:
AG006MEL
Chemical Name:
Pyrano[2,3-e]benzimidazole-5-carboxamide,3,6,7,8-tetrahydro-N,N,2,3-tetramethyl-8-(2-methylphenyl)-, (8S)-
CAS Number:
917957-11-0
Molecular Formula:
C22H25N3O2
Molecular Weight:
363.4528
IUPAC Name:
(8S)-N,N,2,3-tetramethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
InChI:
InChI=1S/C22H25N3O2/c1-13-8-6-7-9-15(13)19-11-10-16-17(22(26)24(3)4)12-18-20(21(16)27-19)23-14(2)25(18)5/h6-9,12,19H,10-11H2,1-5H3/t19-/m0/s1
InChI Key:
BGFVNNRXZMCPRA-IBGZPJMESA-N
SMILES:
O=C(c1cc2c(c3c1CC[C@H](O3)c1ccccc1C)nc(n2C)C)N(C)C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
363.195g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.461g/mol
Monoisotopic Mass:
363.195g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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