N-(3-fluorophenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(3-fluorophenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-0948 |
| Compound Name: | N-(3-fluorophenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C17 H16 F N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NCCC(Nc1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.91 |
| logD: | 1.9089 |
| logSw: | -2.9485 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.853 |
| InChI Key: | IKDXTVJHQRDLFV-UHFFFAOYSA-N |