N-{2-[4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}benzamide
Chemical Structure Depiction of
N-{2-[4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}benzamide
N-{2-[4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}benzamide
Compound characteristics
| Compound ID: | L694-0001 |
| Compound Name: | N-{2-[4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}benzamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C21 H22 N4 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(CNC(c1ccccc1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8981 |
| logD: | 0.898 |
| logSw: | -2.5092 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.429 |
| InChI Key: | KUPIPMFKPCNYJR-UHFFFAOYSA-N |