N-(3-acetylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
N-(3-acetylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E245-1660 |
| Compound Name: | N-(3-acetylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | CC(c1cccc(c1)NC(C1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3302 |
| logD: | 1.3297 |
| logSw: | -2.5376 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.137 |
| InChI Key: | LQSMAEVFNYKNGX-UHFFFAOYSA-N |