6-chloro-2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
6-chloro-2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
6-chloro-2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0294 |
| Compound Name: | 6-chloro-2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C20 H22 Cl N3 O5 S |
| Smiles: | COc1ccc(cc1OC)S(N1CCN(CC1)Cc1nc2ccc(cc2o1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0889 |
| logD: | 3.0888 |
| logSw: | -3.4042 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.498 |
| InChI Key: | SIGUWWIBOMIGIF-UHFFFAOYSA-N |