4-[4-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
4-[4-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | L694-0197 |
| Compound Name: | 4-[4-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(C#N)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6542 |
| logD: | 1.6542 |
| logSw: | -2.4953 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.287 |
| InChI Key: | RUXUTJBZAIOSAY-UHFFFAOYSA-N |