N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1222 |
| Compound Name: | N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C22 H26 N2 O7 S |
| Smiles: | CCOc1ccc(CNC(CC(C)S(c2ccc3c(c2)NC(CO3)=O)(=O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1247 |
| logD: | 1.1246 |
| logSw: | -2.4465 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.322 |
| InChI Key: | CZRVUUICRSDJFX-AWEZNQCLSA-N |