2-({6-[4-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)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: | L383-0446 |
| Compound Name: | 2-({6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C25 H26 Cl N5 O2 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1ccc(nn1)N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8374 |
| logD: | 4.8373 |
| logSw: | -4.8056 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.255 |
| InChI Key: | PAHDXZIGFIVCIB-UHFFFAOYSA-N |