6-(4-methylbenzene-1-sulfonyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(4-methylbenzene-1-sulfonyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]pyridazin-3(2H)-one
6-(4-methylbenzene-1-sulfonyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F809-0596 |
| Compound Name: | 6-(4-methylbenzene-1-sulfonyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]pyridazin-3(2H)-one |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(C1C=CC(N(CC(N2CCOc3ccc(C)cc23)=O)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5007 |
| logD: | 2.5007 |
| logSw: | -2.8355 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.112 |
| InChI Key: | CWPNDCOMVWCCFV-UHFFFAOYSA-N |