1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-1309 |
| Compound Name: | 1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | COc1cccc(CNC(C2CCN(CC2)S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8203 |
| logD: | 1.7617 |
| logSw: | -3.0016 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.177 |
| InChI Key: | HGMLTCJUFOTGFC-UHFFFAOYSA-N |