N-[6-(3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[6-(3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
N-[6-(3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | F222-0730 |
| Compound Name: | N-[6-(3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C22 H29 N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(NCCC3CCCCC=3)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1454 |
| logD: | 4.1453 |
| logSw: | -4.1263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.383 |
| InChI Key: | BHBAHVPEFXTUEA-UHFFFAOYSA-N |