AC1MIIC9
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(4-benzylpiperazin-1-yl)propanamide
Also Known As: 5-23-02-00336 (Beilstein Handbook Reference)|1-Piperazinepropanamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-4-(phenylmethyl)-, (4-alpha,4a-beta,9b-beta)-|3-(4-Benzylpiperazin-1-yl)-N-(8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)propanimidic acid|3-(4-Benzylpiperazin-1-yl)-N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl]propanimidic acid|N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(4-benzylpiperazin-1-yl)propanamide
| Molecular Formula | C28H35N3O3 |
|---|---|
| Molecular Weight | 461.26785 g/mol |
| LogP | 3.06932 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.26785 |
| Monoisotopic Mass | 461.26785 |
| Heavy Atoms | 34 |
| Complexity | 1048.1168 |
Chemical Identifiers
| CAS Number | 58323-07-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CCN4CCN(CC4)CC5=CC=CC=C5)C |
Product Overview
AC1MIIC9 (CAS 58323-07-2), with molecular formula C28H35N3O3 and molecular weight 461.26785 g/mol. IUPAC: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(4-benzylpiperazin-1-yl)propanamide.