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73674-15-4 | 13-METHYL-2,3,4,5,6,7,8,9,10,11-DECAHYDRO-1,13-BENZOTHIAZACYCLOPENTADECIN-12(13H)-ONE
CAS No: 73674-15-4 Catalog No: AG005XYX MDL No:
Product Description
Catalog Number:
AG005XYX
Chemical Name:
13-METHYL-2,3,4,5,6,7,8,9,10,11-DECAHYDRO-1,13-BENZOTHIAZACYCLOPENTADECIN-12(13H)-ONE
CAS Number:
73674-15-4
Molecular Formula:
C18H27NOS
Molecular Weight:
305.4781
IUPAC Name:
14-methyl-2-thia-14-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-13-one
InChI:
InChI=1S/C18H27NOS/c1-19-16-12-9-10-13-17(16)21-15-11-7-5-3-2-4-6-8-14-18(19)20/h9-10,12-13H,2-8,11,14-15H2,1H3
InChI Key:
VVODFAQRGJTZOB-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCSc2c(N1C)cccc2
UNII:
S3C1L57PTN
NSC Number:
362463
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.181g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.48g/mol
Monoisotopic Mass:
305.181g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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