1-[6-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethan-1-one
1-[6-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | F053-2431 |
| Compound Name: | 1-[6-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethan-1-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C22 H26 N2 O4 S2 |
| Smiles: | CCC1CN(c2cc(C)ccc2O1)S(c1ccc2c(c1)N(CC(C)S2)C(C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1553 |
| logD: | 4.1553 |
| logSw: | -4.1834 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.619 |
| InChI Key: | QFPVSQUJWVVYMZ-UHFFFAOYSA-N |