3-({4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-1,2-benzoxazole
Chemical Structure Depiction of
3-({4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-1,2-benzoxazole
3-({4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-1,2-benzoxazole
Compound characteristics
| Compound ID: | L269-0944 |
| Compound Name: | 3-({4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-1,2-benzoxazole |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCN(CC1)Cc1c2ccccc2on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1128 |
| logD: | 4.1122 |
| logSw: | -4.0939 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.184 |
| InChI Key: | GVCKTIMKJPYDQK-UHFFFAOYSA-N |