N-(6-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
N-(6-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}-1,3-benzothiazol-2-yl)butanamide
N-(6-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | F222-0707 |
| Compound Name: | N-(6-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CCCC(Nc1nc2ccc(CCC(Nc3cccc(c3)SC)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7609 |
| logD: | 4.7608 |
| logSw: | -4.5225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.027 |
| InChI Key: | ZWIBDCSONYLXOE-UHFFFAOYSA-N |