6-[4-(3,4-diethoxybenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3,4-diethoxybenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
6-[4-(3,4-diethoxybenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0101 |
| Compound Name: | 6-[4-(3,4-diethoxybenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C22 H25 N3 O6 S2 |
| Smiles: | CCOc1ccc(cc1OCC)C(N1CCN(CC1)S(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3268 |
| logD: | 2.3051 |
| logSw: | -3.0645 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.974 |
| InChI Key: | QKIFJYFJCYPYNN-UHFFFAOYSA-N |