6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0141 |
| Compound Name: | 6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 455.91 |
| Molecular Formula: | C18 H15 Cl F N3 O4 S2 |
| Smiles: | C1CN(CCN1C(c1ccc(c(c1)[Cl])F)=O)S(c1ccc2c(c1)SC(N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7512 |
| logD: | 2.7295 |
| logSw: | -3.6705 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.553 |
| InChI Key: | NKKXCACZNNLRKJ-UHFFFAOYSA-N |