N-[(2-bromophenyl)methyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
N-[(2-bromophenyl)methyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
Compound characteristics
| Compound ID: | F489-0139 |
| Compound Name: | N-[(2-bromophenyl)methyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide |
| Molecular Weight: | 419.28 |
| Molecular Formula: | C18 H19 Br N4 O3 |
| Smiles: | CC1c2c(C(N(CCCC(NCc3ccccc3[Br])=O)N=1)=O)noc2C |
| Stereo: | ACHIRAL |
| logP: | 1.817 |
| logD: | 1.8169 |
| logSw: | -2.1306 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.412 |
| InChI Key: | DQVOMXNODDHRGO-UHFFFAOYSA-N |