N-benzyl-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
N-benzyl-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(propan-2-yl)propanamide
N-benzyl-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | E511-0614 |
| Compound Name: | N-benzyl-3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(propan-2-yl)propanamide |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C21 H23 Cl N2 O5 S |
| Smiles: | CC(C)N(Cc1ccccc1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5224 |
| logD: | 2.5009 |
| logSw: | -3.396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.972 |
| InChI Key: | IVLUZCOSRLIWKH-UHFFFAOYSA-N |