N-[(4-methoxyphenyl)methyl]-4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]butanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]butanamide
N-[(4-methoxyphenyl)methyl]-4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]butanamide
Compound characteristics
| Compound ID: | G017-0682 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]butanamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | COc1ccc(CNC(CCCNS(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4764 |
| logD: | 1.4763 |
| logSw: | -2.386 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.005 |
| InChI Key: | JGRDPGSHRMHHCF-UHFFFAOYSA-N |