N-{4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-{4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-{4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1056 |
| Compound Name: | N-{4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 447.96 |
| Molecular Formula: | C26 H26 Cl N3 O2 |
| Smiles: | Cc1c(cccc1[Cl])NC(Cc1ccc(cc1)NC(N1CCCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8929 |
| logD: | 5.8917 |
| logSw: | -5.8157 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.883 |
| InChI Key: | VHRFAJUHTBVLBI-UHFFFAOYSA-N |