N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
Chemical Structure Depiction of
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G017-1801 |
| Compound Name: | N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C25 H33 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNS(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1747 |
| logD: | 2.3221 |
| logSw: | -4.164 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.881 |
| InChI Key: | SIIQXZYKXPAOEU-UHFFFAOYSA-N |