(2-chloro-5-fluorophenyl){4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2-chloro-5-fluorophenyl){4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}methanone
(2-chloro-5-fluorophenyl){4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V003-6726 |
| Compound Name: | (2-chloro-5-fluorophenyl){4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 604.1 |
| Molecular Formula: | C29 H31 Cl F N3 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(c1cc(ccc1[Cl])F)=O)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7879 |
| logD: | 4.7879 |
| logSw: | -4.9419 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.11 |
| InChI Key: | XNBRNBLIRNIPCZ-UHFFFAOYSA-N |