{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
Chemical Structure Depiction of
{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
Compound characteristics
| Compound ID: | V001-5205 |
| Compound Name: | {4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone |
| Molecular Weight: | 526.57 |
| Molecular Formula: | C25 H26 N4 O7 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(c1ccc([N+]([O-])=O)o1)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6519 |
| logD: | 3.6519 |
| logSw: | -3.9437 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.51 |
| InChI Key: | NKQFKOICRISRFL-UHFFFAOYSA-N |