N-(3-chloro-4-methoxyphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
N-(3-chloro-4-methoxyphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1371 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide |
| Molecular Weight: | 452.91 |
| Molecular Formula: | C20 H21 Cl N2 O6 S |
| Smiles: | CC(CC(Nc1ccc(c(c1)[Cl])OC)=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.414 |
| logD: | 2.4093 |
| logSw: | -3.0782 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.789 |
| InChI Key: | VWCMTNIZNJLWEF-LBPRGKRZSA-N |