2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | L383-1148 |
| Compound Name: | 2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1ccc(nn1)N1CCN(CC1)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2545 |
| logD: | 4.2542 |
| logSw: | -4.235 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.585 |
| InChI Key: | WTUJOEQNJWOGEK-UHFFFAOYSA-N |