N-(2H-1,3-benzodioxol-5-yl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-1310 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 493.92 |
| Molecular Formula: | C21 H20 Cl N3 O7 S |
| Smiles: | C1CN(CCC1C(Nc1ccc2c(c1)OCO2)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8673 |
| logD: | 1.8087 |
| logSw: | -2.9705 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.426 |
| InChI Key: | JYBWFBCAGDEIMT-UHFFFAOYSA-N |