AC1NDB54
ethyl 4-[(3-carbamoyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]benzoate
Also Known As: Oprea1_066908|F0325-0289|SR-01000005563-1|ethyl 4-(3-(3-carbamoyl-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)benzoate|ethyl 4-{[(3-carbamoyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]amino}benzoate|ethyl 4-[(3-carbamoyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]benzoate|ethyl p-[3-(3-carbamoyl-5-methyl-1-thia-4,5,6,7-tetrahydro-2-indenyl)ureido]benzoate
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14093 g/mol |
| LogP | 3.7925 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.14093 |
| Monoisotopic Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 904.9198 |
Chemical Identifiers
| CAS Number | 392239-22-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C3=C(S2)CCC(C3)C)C(=O)N |
Product Overview
AC1NDB54 (CAS 392239-22-4), with molecular formula C20H23N3O4S and molecular weight 401.14093 g/mol. IUPAC: ethyl 4-[(3-carbamoyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]benzoate.
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