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1272321-72-8 | 1,5-Ethano-1H-[1,4]diazepino[1,7-a]benziMidazole, 8-chloro-2,3,4,5-tetrahydro-3-(phenylMethyl)-
CAS No: 1272321-72-8 Catalog No: AG000WRZ MDL No:
Product Description
Catalog Number:
AG000WRZ
Chemical Name:
1,5-Ethano-1H-[1,4]diazepino[1,7-a]benziMidazole, 8-chloro-2,3,4,5-tetrahydro-3-(phenylMethyl)-
CAS Number:
1272321-72-8
Molecular Formula:
C20H20ClN3
Molecular Weight:
337.8459
IUPAC Name:
13-benzyl-6-chloro-2,9,13-triazatetracyclo[9.3.2.02,10.03,8]hexadeca-3(8),4,6,9-tetraene
InChI:
InChI=1S/C20H20ClN3/c21-16-7-9-19-18(10-16)22-20-15-6-8-17(24(19)20)13-23(12-15)11-14-4-2-1-3-5-14/h1-5,7,9-10,15,17H,6,8,11-13H2
InChI Key:
UUDDMOPQTYNUCE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc1n2C2CCC1CN(C2)Cc1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.851g/mol
Monoisotopic Mass:
337.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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