N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({(3-methylbutyl)[(5-methylthiophen-2-yl)methyl]amino}methyl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({(3-methylbutyl)[(5-methylthiophen-2-yl)methyl]amino}methyl)-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({(3-methylbutyl)[(5-methylthiophen-2-yl)methyl]amino}methyl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V002-9250 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({(3-methylbutyl)[(5-methylthiophen-2-yl)methyl]amino}methyl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 471.64 |
| Molecular Formula: | C24 H29 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN(Cc1ccc(C)s1)Cc1nc(cs1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5536 |
| logD: | 5.5497 |
| logSw: | -5.3915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.977 |
| InChI Key: | WFXPNNHLGHVZCR-UHFFFAOYSA-N |