N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V029-4327 |
| Compound Name: | N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 457.63 |
| Molecular Formula: | C25 H35 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(Nc1ccc(c(CN(CC2CCCO2)C(c2cccs2)=O)c1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.522 |
| logD: | 4.5091 |
| logSw: | -4.3562 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.504 |
| InChI Key: | PAPKXLWXSBBQEB-HXUWFJFHSA-N |