6-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
6-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0887 |
| Compound Name: | 6-{4-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C25 H29 N3 O5 S2 |
| Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(C1(CC1)c1ccc(cc1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9787 |
| logD: | 3.9787 |
| logSw: | -4.2405 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.766 |
| InChI Key: | YQDUBCVTSKDFRX-UHFFFAOYSA-N |