AC1Q3UJQ
3-(2-chloroethyl)-6,7-dimethoxy-19-(2-phenylacetyl)-14-oxa-10,19-diazahexacyclo[11.9.0.02,10.03,20.04,9.017,22]docosa-4,6,8,16-tetraen-11-one
Also Known As: 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one|(1R,2S,3R,13S,20S,22R)-3-(2-chloroethyl)-6,7-dimethoxy-19-(2-phenylacetyl)-14-oxa-10,19-diazahexacyclo[11.9.0.02,10.03,20.04,9.017,22]docosa-4,6,8,16-tetraen-11-one
| Molecular Formula | C31H33ClN2O5 |
|---|---|
| Molecular Weight | 548.2078 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.2078 |
| Monoisotopic Mass | 548.2078 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 34403-87-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3(C4CC5C6C3N2C(=O)CC6OCC=C5CN4C(=O)CC7=CC=CC=C7)CCCl)OC |
| InChIKey | HSQGPMQTEPQWGD-UHFFFAOYSA-N |
Product Overview
AC1Q3UJQ (CAS 34403-87-7), with molecular formula C31H33ClN2O5 and molecular weight 548.2078 g/mol. IUPAC: 3-(2-chloroethyl)-6,7-dimethoxy-19-(2-phenylacetyl)-14-oxa-10,19-diazahexacyclo[11.9.0.02,10.03,20.04,9.017,22]docosa-4,6,8,16-tetraen-11-one.
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