N-benzyl-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
N-benzyl-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C066-4355 |
| Compound Name: | N-benzyl-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Smiles: | C(c1ccccc1)N(Cc1cccs1)C(CN1C(c2c(C=N1)c1ccccc1[nH]2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1667 |
| logD: | 3.1667 |
| logSw: | -3.2143 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.142 |
| InChI Key: | PPUQOXMLUABAFB-UHFFFAOYSA-N |