3-ethyl-6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-ethyl-6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
3-ethyl-6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0309 |
| Compound Name: | 3-ethyl-6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 499.56 |
| Molecular Formula: | C23 H21 N3 O6 S2 |
| Smiles: | CCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(C1=Cc2ccccc2OC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9569 |
| logD: | 2.9569 |
| logSw: | -3.539 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 84.896 |
| InChI Key: | IIGHZPWTGRFLDY-UHFFFAOYSA-N |