6-[4-(3-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
6-[4-(3-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
Compound ID: | L475-0796 |
Compound Name: | 6-[4-(3-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzothiazol-2(3H)-one |
Molecular Weight: | 465.61 |
Molecular Formula: | C20 H23 N3 O4 S3 |
Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1c(C)ccs1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9004 |
logD: | 3.9004 |
logSw: | -3.987 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 64.989 |
InChI Key: | SRIPJOVLBHFDBM-UHFFFAOYSA-N |