6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | E975-1150 |
| Compound Name: | 6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CCS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0125 |
| logD: | 1.0125 |
| logSw: | -2.3672 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.349 |
| InChI Key: | QFUUBVPPGDSPLC-UHFFFAOYSA-N |