6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0859 |
| Compound Name: | 6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 510.03 |
| Molecular Formula: | C22 H24 Cl N3 O5 S2 |
| Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(COc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.774 |
| logD: | 3.774 |
| logSw: | -4.2847 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 70.942 |
| InChI Key: | YMDNHMVLUCWLQH-UHFFFAOYSA-N |