N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
Compound characteristics
| Compound ID: | K906-1843 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide |
| Molecular Weight: | 507.58 |
| Molecular Formula: | C22 H25 N3 O7 S2 |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NC(CCSC)C(NCC1COc2ccccc2O1)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1857 |
| logD: | 2.1854 |
| logSw: | -2.8788 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.071 |
| InChI Key: | XHRAHGOIKFPUQT-UHFFFAOYSA-N |