4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-benzylpiperazine-1-carbonyl)-1,2-thiazole-3-carboxamide
Chemical Structure Depiction of
4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-benzylpiperazine-1-carbonyl)-1,2-thiazole-3-carboxamide
4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-benzylpiperazine-1-carbonyl)-1,2-thiazole-3-carboxamide
Compound characteristics
| Compound ID: | M050-0586 |
| Compound Name: | 4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-benzylpiperazine-1-carbonyl)-1,2-thiazole-3-carboxamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(c(C(N2CCN(CC2)Cc2ccccc2)=O)sn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2637 |
| logD: | 2.2489 |
| logSw: | -2.9347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.604 |
| InChI Key: | VRFLRYPDXLBOAE-UHFFFAOYSA-N |