5-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8018-7249 |
| Compound Name: | 5-({[5-(4-chlorobenzoyl)furan-2-yl]methyl}sulfanyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 417.91 |
| Molecular Formula: | C20 H20 Cl N3 O3 S |
| Smiles: | C1CCC(CC1)N1C(=NNC1=O)SCc1ccc(C(c2ccc(cc2)[Cl])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6434 |
| logD: | 5.6328 |
| logSw: | -6.0861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.698 |
| InChI Key: | MSMBDWUOXUONBL-UHFFFAOYSA-N |