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132411-88-2 | 13H-Naphtho[1,2-e]pyrido[3,2-b][1,4]diazepine-13-propanamine, N,N-dimethyl-7-phenyl-
CAS No: 132411-88-2 Catalog No: AG0010O0 MDL No:
Product Description
Catalog Number:
AG0010O0
Chemical Name:
13H-Naphtho[1,2-e]pyrido[3,2-b][1,4]diazepine-13-propanamine, N,N-dimethyl-7-phenyl-
CAS Number:
132411-88-2
Molecular Formula:
C27H26N4
Molecular Weight:
406.5221
IUPAC Name:
N,N-dimethyl-3-(10-phenyl-2,4,9-triazatetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3(8),4,6,9,12,14,16,18-nonaen-2-yl)propan-1-amine
InChI:
InChI=1S/C27H26N4/c1-30(2)18-9-19-31-26-22-13-7-6-10-20(22)15-16-23(26)25(21-11-4-3-5-12-21)29-24-14-8-17-28-27(24)31/h3-8,10-17H,9,18-19H2,1-2H3
InChI Key:
PHIISZFJAMWANM-UHFFFAOYSA-N
SMILES:
CN(CCCN1c2ncccc2N=C(c2c1c1ccccc1cc2)c1ccccc1)C
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.216g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.533g/mol
Monoisotopic Mass:
406.216g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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