2-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}ethyl 2,4-dichlorobenzoate
Chemical Structure Depiction of
2-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}ethyl 2,4-dichlorobenzoate
2-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}ethyl 2,4-dichlorobenzoate
Compound characteristics
| Compound ID: | Y020-0455 |
| Compound Name: | 2-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}ethyl 2,4-dichlorobenzoate |
| Molecular Weight: | 450.34 |
| Molecular Formula: | C19 H17 Cl2 N5 O2 S |
| Smiles: | C(CSCc1nc(N)nc(Nc2ccccc2)n1)OC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2566 |
| logD: | 5.2565 |
| logSw: | -5.7907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.384 |
| InChI Key: | LLOQYZADPVQWGO-UHFFFAOYSA-N |