2-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}ethyl 3-chlorobenzoate
Chemical Structure Depiction of
2-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}ethyl 3-chlorobenzoate
2-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}ethyl 3-chlorobenzoate
Compound characteristics
| Compound ID: | 5645-0413 |
| Compound Name: | 2-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}ethyl 3-chlorobenzoate |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C19 H18 Cl N5 O2 S |
| Smiles: | C(CSCc1nc(N)nc(Nc2ccccc2)n1)OC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7499 |
| logD: | 4.7498 |
| logSw: | -4.8923 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.384 |
| InChI Key: | IVHIPXFAECANCD-UHFFFAOYSA-N |