6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzothiazol-2(3H)-one
6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0252 |
| Compound Name: | 6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 496 |
| Molecular Formula: | C21 H22 Cl N3 O5 S2 |
| Smiles: | CC(C(N1CCN(CC1)S(c1ccc2c(c1)SC(N2C)=O)(=O)=O)=O)Oc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7224 |
| logD: | 3.7224 |
| logSw: | -4.0352 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 70.805 |
| InChI Key: | BBDHEIWUXPBUDK-AWEZNQCLSA-N |