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110073-51-3 | 3H-1,4-Benzodiazepine, 3-(1H-indol-3-ylmethyl)-, (R)-
CAS No: 110073-51-3 Catalog No: AG0084HW MDL No:
Product Description
Catalog Number:
AG0084HW
Chemical Name:
3H-1,4-Benzodiazepine, 3-(1H-indol-3-ylmethyl)-, (R)-
CAS Number:
110073-51-3
Molecular Formula:
C18H15N3
Molecular Weight:
273.3318
IUPAC Name:
3-(1H-indol-3-ylmethyl)-3H-1,4-benzodiazepine
InChI:
InChI=1S/C18H15N3/c1-3-7-17-13(5-1)10-19-15(12-21-17)9-14-11-20-18-8-4-2-6-16(14)18/h1-8,10-12,15,20H,9H2
InChI Key:
PRBGPHVSMYLABR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)N=C[C@H](N=C2)Cc1c[nH]c2c1cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.339g/mol
Monoisotopic Mass:
273.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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