5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
Chemical Structure Depiction of
5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
Compound characteristics
| Compound ID: | 8018-5537 |
| Compound Name: | 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | CC(C)(CC(O)=O)CC(Nc1ccc(cc1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8643 |
| logD: | 1.3284 |
| logSw: | -4.0707 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.221 |
| InChI Key: | ADIDPIZLSLBACM-UHFFFAOYSA-N |