methyl 2-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate
Chemical Structure Depiction of
methyl 2-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate
methyl 2-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate
Compound characteristics
| Compound ID: | 8019-8742 |
| Compound Name: | methyl 2-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C17 H21 N5 O2 S |
| Smiles: | COC(c1ccccc1SCc1nc(N)nc(n1)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3182 |
| logD: | 3.3182 |
| logSw: | -3.6379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.843 |
| InChI Key: | SICANCZCLPXAKF-UHFFFAOYSA-N |