N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V006-4091 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 631.84 |
| Molecular Formula: | C39 H41 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(cs2)C(NCc2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.8291 |
| logD: | 8.8288 |
| logSw: | -5.6791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.415 |
| InChI Key: | DXPQSRXPPSFFMU-UHFFFAOYSA-N |