RefChem:1098940
bis((E)-but-2-enedioic acid);N,N-di(propan-2-yl)-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]acetamide
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-((4-diisopropylcarbamoylmethyl)piperazinyl)methyl-, dimaleate|1-Piperazineacetamide, N,N-bis(1-methylethyl)-4-(spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-ylmethyl)-, (Z)-2-butenedioate (1:2)
| Molecular Formula | C38H47N3O11 |
|---|---|
| Molecular Weight | 721.32104 g/mol |
| LogP | 3.4735 |
| Topological Polar Surface Area | 194.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 721.32104 |
| Monoisotopic Mass | 721.32104 |
| Heavy Atoms | 52 |
| Complexity | 1535.1826 |
Chemical Identifiers
| CAS Number | 64036-65-3 |
|---|---|
| SMILES | CC(N(C(=O)CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4C=CC5=CC=CC=C35)C(C)C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098940 (CAS 64036-65-3), with molecular formula C38H47N3O11 and molecular weight 721.32104 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N,N-di(propan-2-yl)-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]acetamide.
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