N-(2,3-dihydro-1,4-benzodioxin-6-yl)-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C562-1491 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 509.54 |
| Molecular Formula: | C25 H23 N3 O7 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NC(Cc1ccccc1)C(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.433 |
| logD: | 2.4315 |
| logSw: | -3.0912 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.621 |
| InChI Key: | VYSCKYZQDQYYGG-IBGZPJMESA-N |