N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(2H-1,3-benzodioxol-5-yl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(2H-1,3-benzodioxol-5-yl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(2H-1,3-benzodioxol-5-yl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V006-1710 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(2H-1,3-benzodioxol-5-yl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 619.74 |
| Molecular Formula: | C36 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | C(CN(Cc1ccc2c(c1)OCO2)Cc1nc(cs1)C(NCc1ccc2c(c1)OCO2)=O)C(c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9059 |
| logD: | 6.9045 |
| logSw: | -6.0465 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.531 |
| InChI Key: | YXWXTNNJXUBYIY-UHFFFAOYSA-N |