6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | E975-1116 |
| Compound Name: | 6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(N1CCN(CC1)c1cccc(c1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9325 |
| logD: | 1.9325 |
| logSw: | -3.0135 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.522 |
| InChI Key: | XJVYVTOGJUFIRW-UHFFFAOYSA-N |