MLS000565825
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
Also Known As: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide|(S)-N-(1-(1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide|N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-3-(METHYLSULFANYL)PROPYL]-3-METHYL-4-OXO-3,4-DIHYDRO-1-PHTHALAZINECARBOXAMIDE|N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-4-oxo-1-phthalazinecarboxamide|N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-keto-3-methyl-phthalazine-1-carboxamide|N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.1416 g/mol |
| LogP | 3.034 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1416 |
| Monoisotopic Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1213.7714 |
Chemical Identifiers
| CAS Number | 1164565-80-3 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3 |
Product Overview
MLS000565825 (CAS 1164565-80-3), with molecular formula C21H21N5O2S and molecular weight 407.1416 g/mol. IUPAC: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide.