6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-3-ethyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-3-ethyl-1,3-benzothiazol-2(3H)-one
6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-3-ethyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0439 |
| Compound Name: | 6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-3-ethyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 483.97 |
| Molecular Formula: | C20 H19 Cl F N3 O4 S2 |
| Smiles: | CCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(c(c1)[Cl])F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4267 |
| logD: | 3.4267 |
| logSw: | -3.9429 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.975 |
| InChI Key: | RMNYITAVOPYUSP-UHFFFAOYSA-N |