ChemDiv3_003645
1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-(3-methylphenyl)thiourea
Also Known As: ChemDiv3_003645|IDI1_021555|AB00121841-01|SR-01000501195-1|BRD-K30424430-001-01-9|1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-(3-methylphenyl)thiourea|1-cyclohexyl-1-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-3-(3-methylphenyl)thiourea|3-{[3-(cyclohexyl{[(3-methylphenyl)amino]thioxomethyl}amino)propyl]amino}-5,5- dimethylcyclohex-2-en-1-one
| Molecular Formula | C25H37N3OS |
|---|---|
| Molecular Weight | 427.26575 g/mol |
| LogP | 5.57922 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.26575 |
| Monoisotopic Mass | 427.26575 |
| Heavy Atoms | 30 |
| Complexity | 780.35333 |
Chemical Identifiers
| CAS Number | 433239-82-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N(CCCNC2=CC(=O)CC(C2)(C)C)C3CCCCC3 |
Product Overview
ChemDiv3_003645 (CAS 433239-82-8), with molecular formula C25H37N3OS and molecular weight 427.26575 g/mol. IUPAC: 1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-(3-methylphenyl)thiourea.
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