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74148-61-1 | 1,5-Benzothiazepine, 2,3-dihydro-2-methyl-4-phenyl-
CAS No: 74148-61-1 Catalog No: AG005DVZ MDL No:
Product Description
Catalog Number:
AG005DVZ
Chemical Name:
1,5-Benzothiazepine, 2,3-dihydro-2-methyl-4-phenyl-
CAS Number:
74148-61-1
Molecular Formula:
C16H15NS
Molecular Weight:
253.3620
IUPAC Name:
2-methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine
InChI:
InChI=1S/C16H15NS/c1-12-11-15(13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)18-12/h2-10,12H,11H2,1H3
InChI Key:
NBRFYVLJPCZJNZ-UHFFFAOYSA-N
SMILES:
CC1Sc2ccccc2N=C(C1)c1ccccc1
NSC Number:
641198
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.363g/mol
Monoisotopic Mass:
253.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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