N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-{4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-{4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-{4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8012-7591 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-{4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide |
| Molecular Weight: | 693.87 |
| Molecular Formula: | C39 H43 N5 O5 S |
| Smiles: | CCOc1ccc(CCNS(c2cc(ccc2C)c2c3ccccc3c(Nc3ccc(cc3)C(N3CCCCC3)=O)nn2)(=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 6.139 |
| logD: | 6.1385 |
| logSw: | -5.5669 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.429 |
| InChI Key: | DOBKCMQESDDLSB-UHFFFAOYSA-N |