N-benzyl-N-tert-butyl-N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N-benzyl-N-tert-butyl-N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide
N-benzyl-N-tert-butyl-N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | G938-0940 |
| Compound Name: | N-benzyl-N-tert-butyl-N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methylglycinamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C22 H26 Cl N3 O5 S |
| Smiles: | CC(C)(C)N(Cc1ccccc1)C(CN(C)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7498 |
| logD: | 2.6912 |
| logSw: | -3.5002 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.135 |
| InChI Key: | MBYIIJNVIBHVEJ-UHFFFAOYSA-N |