N-(4-{4-[(1,2-benzoxazol-3-yl)methyl]piperazine-1-sulfonyl}phenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(4-{4-[(1,2-benzoxazol-3-yl)methyl]piperazine-1-sulfonyl}phenyl)-3-methylbutanamide
N-(4-{4-[(1,2-benzoxazol-3-yl)methyl]piperazine-1-sulfonyl}phenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | L269-0951 |
| Compound Name: | N-(4-{4-[(1,2-benzoxazol-3-yl)methyl]piperazine-1-sulfonyl}phenyl)-3-methylbutanamide |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Smiles: | CC(C)CC(Nc1ccc(cc1)S(N1CCN(CC1)Cc1c2ccccc2on1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4038 |
| logD: | 3.4018 |
| logSw: | -3.76 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.334 |
| InChI Key: | OWQJHTZWBWMNHL-UHFFFAOYSA-N |