3-methyl-6-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
3-methyl-6-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0245 |
| Compound Name: | 3-methyl-6-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C18 H19 N3 O4 S3 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(Cc1cccs1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3826 |
| logD: | 2.3826 |
| logSw: | -2.8457 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.507 |
| InChI Key: | VBQNKERXCLGFAL-UHFFFAOYSA-N |