Egfr-IN-52
1-(1,3-benzodioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Also Known As: EGFR-IN-52|Oprea1_300853|F1533-0323|SR-01000013084-1|1-(2H-1,3-benzodioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea|1-(1,3-benzodioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea|1-(benzo[d][1,3]dioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea|4-[3-(2H-1,3-benzodioxol-5-yl)thioureido]-1-methyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one|4-{[(2H-benzo[3,4-d]1,3-dioxolen-5-ylamino)thioxomethyl]amino}-2,3-dimethyl-1- phenyl-3-pyrazolin-5-one
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.10995 g/mol |
| LogP | 3.02202 |
| Topological Polar Surface Area | 69.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.10995 |
| Monoisotopic Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 1072.5491 |
Chemical Identifiers
| CAS Number | 454436-75-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCO4 |
Product Overview
Egfr-IN-52 (CAS 454436-75-0), with molecular formula C19H18N4O3S and molecular weight 382.10995 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea.