AC1MID2V

2-phenylethyl 2-(11-oxo-6a,7,8,9,10,10a-hexahydro-6H-benzo[c][1]benzothiepin-3-yl)propanoate

Also Known As: Phenethyl trans-2-(6,6a,7,8,9,10,10a,11-octahydro-11-oxo-dibenzo(b,e)thiepin-3-yl)propionate|Dibenzo(b,e)thiepin-3-acetic acid, 6,6a,7,8,9,10,10a,11-octahydro-alpha-methyl-11-oxo-, 2-phenylethyl ester|phenethyl 2-(11-oxo-6a,7,8,9,10,10a-hexahydro-6H-benzo[c][1]benzothiepin-3-yl)propanoate|2-Phenylethyl 2-(11-oxo-6,6a,7,8,9,10,10a,11-octahydrodibenzo[b,e]thiepin-3-yl)propanoate

Molecular Formula	C25H28O3S
Molecular Weight	408.1759 g/mol
LogP	5.6708
Topological Polar Surface Area	43.37 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	408.1759
Monoisotopic Mass	408.1759
Heavy Atoms	29
Complexity	876.89215

Chemical Identifiers

CAS Number	80772-71-0
SMILES	CC(C1=CC2=C(C=C1)C(=O)C3CCCCC3CS2)C(=O)OCCC4=CC=CC=C4