2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-4H-1-benzopyran-4-one
2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | G856-9488 |
| Compound Name: | 2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | Cc1ccc2c(c1C)nc(N1CCN(CC1)C(C1=CC(c3ccccc3O1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.6945 |
| logD: | 4.6944 |
| logSw: | -4.5802 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.271 |
| InChI Key: | SEPMJPGZHAOEAB-UHFFFAOYSA-N |