N-(6-{3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl}-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
N-(6-{3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl}-1,3-benzothiazol-2-yl)butanamide
N-(6-{3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl}-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | F222-0747 |
| Compound Name: | N-(6-{3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl}-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C25 H32 N4 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(Nc3ccc(cc3C)N(CC)CC)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0771 |
| logD: | 4.8678 |
| logSw: | -4.8062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.065 |
| InChI Key: | PAQQDXQUTJZFEV-UHFFFAOYSA-N |