AC1MHUYL
3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;oxalic acid
Also Known As: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)|3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; oxalic acid|Oxalic acid--11-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(methanesulfonyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one (1/1)
| Molecular Formula | C24H30N2O8S2 |
|---|---|
| Molecular Weight | 538.14435 g/mol |
| LogP | 1.0096 |
| Topological Polar Surface Area | 152.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.14435 |
| Monoisotopic Mass | 538.14435 |
| Heavy Atoms | 36 |
| Complexity | 1228.4276 |
Chemical Identifiers
| CAS Number | 74667-80-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CCN(CC4)CCCO.C(=O)(C(=O)O)O |
Product Overview
AC1MHUYL (CAS 74667-80-4), with molecular formula C24H30N2O8S2 and molecular weight 538.14435 g/mol. IUPAC: 3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;oxalic acid.
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