6-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | E975-1156 |
| Compound Name: | 6-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C23 H26 N2 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(N1CCC(CC1)Cc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6845 |
| logD: | 2.6845 |
| logSw: | -3.3355 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.99 |
| InChI Key: | ASGMTJDJFIZEHM-UHFFFAOYSA-N |