N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F821-0554 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCCC(C1)C(Nc1ccc(c(c1)[Cl])OC)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5761 |
| logD: | 2.57 |
| logSw: | -3.3906 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.213 |
| InChI Key: | XJRGAGAAEWXWFY-UHFFFAOYSA-N |