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131766-66-0 | 1H-3-Benzazepine, 7-chloro-1-(2,3-dihydro-7-benzofuranyl)-2,3,4,5-tetrahydro-8-(methoxymethoxy)-3-methyl-, (S)- (9CI)
CAS No: 131766-66-0 Catalog No: AG000ZPF MDL No:
Product Description
Catalog Number:
AG000ZPF
Chemical Name:
1H-3-Benzazepine, 7-chloro-1-(2,3-dihydro-7-benzofuranyl)-2,3,4,5-tetrahydro-8-(methoxymethoxy)-3-methyl-, (S)- (9CI)
CAS Number:
131766-66-0
Molecular Formula:
C21H24ClNO3
Molecular Weight:
373.8732
IUPAC Name:
7-chloro-5-(2,3-dihydro-1-benzofuran-7-yl)-7-(methoxymethoxy)-3-methyl-2,4,5,6-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C21H26ClNO3/c1-23-10-7-15-6-9-21(22,26-14-24-2)12-18(15)19(13-23)17-5-3-4-16-8-11-25-20(16)17/h3-6,9,19H,7-8,10-14H2,1-2H3
InChI Key:
IIBIGRAOJKCFBR-UHFFFAOYSA-N
SMILES:
COCOc1cc2c(cc1Cl)CCN(C[C@@H]2c1cccc2c1OCC2)C
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.16g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.893g/mol
Monoisotopic Mass:
375.16g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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