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156213-22-8 | 10H-Phenothiazine, 2-methoxy-10-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]acetyl]- (9CI)
CAS No: 156213-22-8 Catalog No: AG001OKV MDL No:
Product Description
Catalog Number:
AG001OKV
Chemical Name:
10H-Phenothiazine, 2-methoxy-10-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]acetyl]- (9CI)
CAS Number:
156213-22-8
Molecular Formula:
C24H28N2O2S
Molecular Weight:
408.5563
IUPAC Name:
2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-(2-methoxyphenothiazin-10-yl)ethanone
InChI:
InChI=1S/C24H28N2O2S/c1-28-18-11-12-23-21(16-18)26(20-9-2-3-10-22(20)29-23)24(27)15-17-7-6-14-25-13-5-4-8-19(17)25/h2-3,9-12,16-17,19H,4-8,13-15H2,1H3/t17-,19?/m0/s1
InChI Key:
RWBZLDHRVNXFQH-KKFHFHRHSA-N
SMILES:
COc1ccc2c(c1)N(C(=O)C[C@@H]1CCCN3[C@@H]1CCCC3)c1c(S2)cccc1
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
408.187g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.56g/mol
Monoisotopic Mass:
408.187g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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