1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-({6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-({6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)ethan-1-one
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-({6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | L383-1409 |
| Compound Name: | 1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-({6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)c1ccc(nn1)SCC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6963 |
| logD: | 4.6962 |
| logSw: | -4.4868 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.255 |
| InChI Key: | HNQIJVRIQDFCQJ-UHFFFAOYSA-N |