5-chloro-2-{[4-(4-propylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
5-chloro-2-{[4-(4-propylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
5-chloro-2-{[4-(4-propylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0087 |
| Compound Name: | 5-chloro-2-{[4-(4-propylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 433.96 |
| Molecular Formula: | C21 H24 Cl N3 O3 S |
| Smiles: | CCCc1ccc(cc1)S(N1CCN(CC1)Cc1nc2cc(ccc2o1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7231 |
| logD: | 4.7229 |
| logSw: | -4.6668 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | PBPLYYGPRNFHBW-UHFFFAOYSA-N |