6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Chemical Structure Depiction of
6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F977-0568 |
| Compound Name: | 6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C25 H22 N4 O4 |
| Smiles: | C1CN(CCN(C1)C(C1=Cc2ccccc2OC1=O)=O)C1C=CC(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4081 |
| logD: | 2.4081 |
| logSw: | -2.8051 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.414 |
| InChI Key: | BBJUSECYMMRJLK-UHFFFAOYSA-N |