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92962-65-7 | 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-(4-methylphenyl)-
CAS No: 92962-65-7 Catalog No: AG00673B MDL No:
Product Description
Catalog Number:
AG00673B
Chemical Name:
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-(4-methylphenyl)-
CAS Number:
92962-65-7
Molecular Formula:
C16H15NOS
Molecular Weight:
269.3614
IUPAC Name:
2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C16H15NOS/c1-11-6-8-12(9-7-11)15-10-16(18)17-13-4-2-3-5-14(13)19-15/h2-9,15H,10H2,1H3,(H,17,18)
InChI Key:
NTPYGGJKHZYKFZ-UHFFFAOYSA-N
SMILES:
O=C1CC(Sc2c(N1)cccc2)c1ccc(cc1)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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