1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-ethylphenyl)prolinamide
Chemical Structure Depiction of
1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-ethylphenyl)prolinamide
1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-ethylphenyl)prolinamide
Compound characteristics
| Compound ID: | F632-0447 |
| Compound Name: | 1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(4-ethylphenyl)prolinamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CCc1ccc(cc1)NC(C1CCCN1S(c1cc2c(cc1C)NC(C(C)O2)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1733 |
| logD: | 3.1727 |
| logSw: | -3.3442 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.486 |
| InChI Key: | JHBQHLBASPOGFR-UHFFFAOYSA-N |