6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | E975-1103 |
| Compound Name: | 6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(N1CCN(CC1)c1ccccc1OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3496 |
| logD: | 1.3494 |
| logSw: | -2.3106 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.851 |
| InChI Key: | YPJODTSEICPTMX-UHFFFAOYSA-N |