N-{[5-(3-chloro-2,2-dimethylpropanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[5-(3-chloro-2,2-dimethylpropanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
N-{[5-(3-chloro-2,2-dimethylpropanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V005-9951 |
| Compound Name: | N-{[5-(3-chloro-2,2-dimethylpropanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 478.05 |
| Molecular Formula: | C24 H32 Cl N3 O3 S |
| Smiles: | CC(C)(C[Cl])C(Nc1ccc(c(CN(CC2CCCO2)C(c2cccs2)=O)c1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.45 |
| logD: | 4.4371 |
| logSw: | -4.2553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.717 |
| InChI Key: | YVONLSBXEOLNCW-LJQANCHMSA-N |