6-{4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-propyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-propyl-1,3-benzoxazol-2(3H)-one
6-{4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-propyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L799-3217 |
| Compound Name: | 6-{4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-propyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C26 H31 N3 O5 S |
| Smiles: | CCCN1C(=O)Oc2cc(ccc12)S(N1CCC(CC1)CC(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0841 |
| logD: | 4.0841 |
| logSw: | -4.2077 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.811 |
| InChI Key: | CXDBTHIWCUSZOS-UHFFFAOYSA-N |