2,2-dichloro-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2,2-dichloro-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}ethan-1-one
2,2-dichloro-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V011-6560 |
| Compound Name: | 2,2-dichloro-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 498.43 |
| Molecular Formula: | C22 H25 Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(C([Cl])[Cl])=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7663 |
| logD: | 3.7663 |
| logSw: | -4.0258 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.121 |
| InChI Key: | GUHBBAJGZMQEKC-UHFFFAOYSA-N |