3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-7805 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 660.65 |
| Molecular Formula: | C30 H33 N3 O5 S2 |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1)/N=C1/N(CCc2ccc(c(c2)OC)OC)C(=CS1)c1ccc(cc1)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4576 |
| logD: | 5.4573 |
| logSw: | -5.4194 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.163 |
| InChI Key: | BBGSYIJZAHMNTD-KTMFPKCZSA-N |