6-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
6-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0075 |
| Compound Name: | 6-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C21 H23 N3 O7 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)S(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0104 |
| logD: | 1.9887 |
| logSw: | -2.9501 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.531 |
| InChI Key: | NAOSRFLVKFEPBA-UHFFFAOYSA-N |