ChemDiv3_016053
2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-cyclohexylbutanamide
Also Known As: ChemDiv3_016053|2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-cyclohexylbutanamide|2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-cyclohexylbutanamide|2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydropteridin-2-yl]thio}-N-cyclohexylbutanamide
CAS: 902857-65-2
| Molecular Formula | C24H27N5O4S |
|---|---|
| Molecular Weight | 481.17838 g/mol |
| LogP | 3.2831 |
| Topological Polar Surface Area | 108.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.17838 |
| Monoisotopic Mass | 481.17838 |
| Heavy Atoms | 34 |
| Complexity | 1257.8322 |
Chemical Identifiers
| CAS Number | 902857-65-2 |
|---|---|
| SMILES | CCC(C(=O)NC1CCCCC1)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv3_016053 (CAS 902857-65-2), with molecular formula C24H27N5O4S and molecular weight 481.17838 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-cyclohexylbutanamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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