methyl 2-({[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate
Chemical Structure Depiction of
methyl 2-({[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate
methyl 2-({[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate
Compound characteristics
| Compound ID: | 8016-9673 |
| Compound Name: | methyl 2-({[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)benzoate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C19 H19 N5 O2 S |
| Smiles: | Cc1ccc(cc1)Nc1nc(CSc2ccccc2C(=O)OC)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1751 |
| logD: | 4.1751 |
| logSw: | -4.4545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.51 |
| InChI Key: | KWWWYIHVQOCEGS-UHFFFAOYSA-N |