1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl]piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl]piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl]piperazine
Compound characteristics
| Compound ID: | L464-0551 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl]piperazine |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Salt: | HCl |
| Smiles: | Cc1c(C)noc1c1ccc(s1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5109 |
| logD: | 3.3784 |
| logSw: | -3.6825 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.969 |
| InChI Key: | AXVNIVHFAUXDTE-UHFFFAOYSA-N |