1-(4-{4-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]piperazin-1-yl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | L995-0116 |
| Compound Name: | 1-(4-{4-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1ccc2c(c1)c(C(N1CCCC1)=O)no2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6694 |
| logD: | 2.6694 |
| logSw: | -3.0973 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.25 |
| InChI Key: | DKPUBIUIOVWMBP-UHFFFAOYSA-N |