N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-4-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-4-(piperidine-1-sulfonyl)benzamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-4-(piperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | F866-0070 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-4-(piperidine-1-sulfonyl)benzamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C23 H29 N3 O5 S2 |
| Smiles: | C1CCN(CC1)S(c1ccc(cc1)C(NCCS(N1CCc2ccccc2C1)(=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1293 |
| logD: | 2.1293 |
| logSw: | -2.7369 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.743 |
| InChI Key: | DHYBHIBZSBWMCY-UHFFFAOYSA-N |