N-cyclooctyl-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-cyclooctyl-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-cyclooctyl-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-0927 |
| Compound Name: | N-cyclooctyl-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C19 H27 N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NCCC(NC1CCCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.793 |
| logD: | 2.7929 |
| logSw: | -3.5463 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.232 |
| InChI Key: | BEVPPTWZGKWRPL-UHFFFAOYSA-N |