N-(4-bromo-3-methylphenyl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
N-(4-bromo-3-methylphenyl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-1305 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 542.83 |
| Molecular Formula: | C21 H21 Br Cl N3 O5 S |
| Smiles: | Cc1cc(ccc1[Br])NC(C1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2087 |
| logD: | 3.1502 |
| logSw: | -3.4773 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.311 |
| InChI Key: | ICSUCTRIYXDOER-UHFFFAOYSA-N |