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24609-76-5 | 1H-Naphth[1,2-e][1,3]oxazine, 3-(4-chlorophenyl)-2,3-dihydro-1-phenyl-, (1R,3R)-rel-
CAS No: 24609-76-5 Catalog No: AG002OQU MDL No:
Product Description
Catalog Number:
AG002OQU
Chemical Name:
1H-Naphth[1,2-e][1,3]oxazine, 3-(4-chlorophenyl)-2,3-dihydro-1-phenyl-, (1R,3R)-rel-
CAS Number:
24609-76-5
Molecular Formula:
C24H18ClNO
Molecular Weight:
371.8588
IUPAC Name:
3-(4-chlorophenyl)-1-phenyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazine
InChI:
InChI=1S/C24H18ClNO/c25-19-13-10-18(11-14-19)24-26-23(17-7-2-1-3-8-17)22-20-9-5-4-6-16(20)12-15-21(22)27-24/h1-15,23-24,26H
InChI Key:
PTSGIYDZVYWRDZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)[C@H]1Oc2ccc3c(c2[C@H](N1)c1ccccc1)cccc3
NSC Number:
135846
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.108g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.864g/mol
Monoisotopic Mass:
371.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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