6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-3-propyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-3-propyl-1,3-benzothiazol-2(3H)-one
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-3-propyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0750 |
| Compound Name: | 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-3-propyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C22 H24 F N3 O4 S2 |
| Smiles: | CCCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(C)c(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0457 |
| logD: | 4.0457 |
| logSw: | -4.0598 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.228 |
| InChI Key: | HJWWKQNNFAFDMX-UHFFFAOYSA-N |