N-[6-(3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[6-(3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
N-[6-(3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | F222-0827 |
| Compound Name: | N-[6-(3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide |
| Molecular Weight: | 490.42 |
| Molecular Formula: | C22 H24 Br N3 O3 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(NCc3cc(ccc3OC)[Br])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8935 |
| logD: | 4.8935 |
| logSw: | -4.7267 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.979 |
| InChI Key: | JVGQRGZAWSNLQX-UHFFFAOYSA-N |