AC1LQH4G
4-[2-(4-chlorophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile
Also Known As: ChemDiv1_024413|Oprea1_118321|HMS656F15|AH-262/08613021|SR-01000484186-1|3-[2-(4-chlorophenyl)-2-oxoethyl]-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile|3-(2-(4-chlorophenyl)-2-oxoethyl)-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile
| Molecular Formula | C20H17ClN4O2 |
|---|---|
| Molecular Weight | 380.104 g/mol |
| LogP | 3.33238 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.104 |
| Monoisotopic Mass | 380.104 |
| Heavy Atoms | 27 |
| Complexity | 1135.9738 |
Chemical Identifiers
| CAS Number | 327097-75-6 |
|---|---|
| SMILES | C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Cl)C#N |
Product Overview
AC1LQH4G (CAS 327097-75-6), with molecular formula C20H17ClN4O2 and molecular weight 380.104 g/mol. IUPAC: 4-[2-(4-chlorophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile.
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