N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F632-1254 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide |
| Molecular Weight: | 493.92 |
| Molecular Formula: | C21 H20 Cl N3 O7 S |
| Smiles: | C1CC(C(NCc2ccc3c(c2)OCO3)=O)N(C1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4297 |
| logD: | 1.3711 |
| logSw: | -2.9118 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.585 |
| InChI Key: | PBGRJPSIXJMBBH-HNNXBMFYSA-N |