N-butyl-N-methyl-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-butyl-N-methyl-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-4-carboxamide
N-butyl-N-methyl-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E977-0541 |
| Compound Name: | N-butyl-N-methyl-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C21 H31 N3 O4 S |
| Smiles: | CCCCN(C)C(C1CCN(CC1)S(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8935 |
| logD: | 1.8934 |
| logSw: | -2.7719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.502 |
| InChI Key: | POPKILJWKYLRET-UHFFFAOYSA-N |