6-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0114 |
| Compound Name: | 6-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C22 H23 N3 O5 S2 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1CCN(CC1)S(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8759 |
| logD: | 2.8542 |
| logSw: | -3.6961 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.349 |
| InChI Key: | VUGSTXHPJJDNGE-UHFFFAOYSA-N |