6-[5-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)thiophen-2-yl]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[5-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)thiophen-2-yl]pyridazin-3(2H)-one
6-[5-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)thiophen-2-yl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | G115-0611 |
| Compound Name: | 6-[5-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)thiophen-2-yl]pyridazin-3(2H)-one |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | CCC1CN(c2cc(C)ccc2O1)S(c1ccc(C2C=CC(NN=2)=O)s1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8226 |
| logD: | 3.8225 |
| logSw: | -3.9175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.789 |
| InChI Key: | JBBANIRELBBFRS-CYBMUJFWSA-N |