N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V028-1444 |
| Compound Name: | N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 464.03 |
| Molecular Formula: | C23 H30 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CN(C)c1ccc(cc1CN(CC1CCCO1)C(c1cccs1)=O)NC(CCC[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4609 |
| logD: | 3.448 |
| logSw: | -3.8473 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.504 |
| InChI Key: | TVBMWTDQWSWAKO-LJQANCHMSA-N |