ethyl 4-[4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
ethyl 4-[4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
Compound characteristics
| Compound ID: | E539-0128 |
| Compound Name: | ethyl 4-[4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCC(N1CCSc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3663 |
| logD: | 3.3661 |
| logSw: | -3.5855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.927 |
| InChI Key: | XXPAIGJSLKSVRN-UHFFFAOYSA-N |