3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)butanamide
Chemical Structure Depiction of
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)butanamide
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)butanamide
Compound characteristics
| Compound ID: | E667-1110 |
| Compound Name: | 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)butanamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C21 H24 N2 O8 S |
| Smiles: | CC(CC(Nc1cc(c(c(c1)OC)OC)OC)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9291 |
| logD: | 0.9236 |
| logSw: | -2.3954 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.137 |
| InChI Key: | FGDKNZRUHXSAAI-LBPRGKRZSA-N |