1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-ethyl-N-phenylprolinamide
Chemical Structure Depiction of
1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-ethyl-N-phenylprolinamide
1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-ethyl-N-phenylprolinamide
Compound characteristics
| Compound ID: | F632-0445 |
| Compound Name: | 1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-ethyl-N-phenylprolinamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CCN(C(C1CCCN1S(c1cc2c(cc1C)NC(C(C)O2)=O)(=O)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6015 |
| logD: | 2.6008 |
| logSw: | -3.1086 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.742 |
| InChI Key: | UXOTXTDGWXDSNT-UHFFFAOYSA-N |