3-ethyl-6-[4-(1H-indole-2-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-ethyl-6-[4-(1H-indole-2-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
3-ethyl-6-[4-(1H-indole-2-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0430 |
| Compound Name: | 3-ethyl-6-[4-(1H-indole-2-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C22 H22 N4 O4 S2 |
| Smiles: | CCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1cc2ccccc2[nH]1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9639 |
| logD: | 3.9639 |
| logSw: | -4.1177 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.324 |
| InChI Key: | HGUPKCUPVQAODJ-UHFFFAOYSA-N |