6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E667-1092 |
| Compound Name: | 6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C18 H24 N2 O5 S |
| Smiles: | CC1CCCN(C1)C(CC(C)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1216 |
| logD: | 1.1215 |
| logSw: | -2.5026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.335 |
| InChI Key: | KLWYJGZJPJQRMP-UHFFFAOYSA-N |