3-{[(4-fluorophenyl)methyl]sulfanyl}-5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepine
Chemical Structure Depiction of
3-{[(4-fluorophenyl)methyl]sulfanyl}-5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepine
3-{[(4-fluorophenyl)methyl]sulfanyl}-5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepine
Compound characteristics
| Compound ID: | 8018-2118 |
| Compound Name: | 3-{[(4-fluorophenyl)methyl]sulfanyl}-5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepine |
| Molecular Weight: | 279.38 |
| Molecular Formula: | C14 H18 F N3 S |
| Smiles: | CC1CC(C)(C)N=C(NN=1)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.9768 |
| logD: | 2.1738 |
| logSw: | -3.0413 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.915 |
| InChI Key: | OGGONXNLGKBJJA-UHFFFAOYSA-N |