N-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
N-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
N-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-6704 |
| Compound Name: | N-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 665.07 |
| Molecular Formula: | C29 H30 Cl N3 O4 S2 |
| Salt: | HBr |
| Smiles: | COc1ccc(CCN2C(=CSC\2=N/c2ccc(cc2)[Cl])c2ccc(cc2)S(N2CCCC2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.07 |
| logD: | 6.0699 |
| logSw: | -6.2234 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.619 |
| InChI Key: | KJEYZZBBEXPJDX-OWWNRXNESA-N |