4-ethyl-3-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-ethyl-3-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
4-ethyl-3-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-3065 |
| Compound Name: | 4-ethyl-3-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | CCN1C(=NS(c2ccccc12)(=O)=O)SCC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1579 |
| logD: | 3.1579 |
| logSw: | -3.3631 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.718 |
| InChI Key: | PREJVVGIBQTHRV-UHFFFAOYSA-N |