(4-chlorophenyl)(5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-yl)methanone
Chemical Structure Depiction of
(4-chlorophenyl)(5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-yl)methanone
(4-chlorophenyl)(5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-yl)methanone
Compound characteristics
| Compound ID: | 8015-0910 |
| Compound Name: | (4-chlorophenyl)(5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-yl)methanone |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C21 H16 Cl N3 O2 S |
| Smiles: | Cc1nnc(n1c1ccccc1)SCc1ccc(C(c2ccc(cc2)[Cl])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6679 |
| logD: | 4.6679 |
| logSw: | -4.9506 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.069 |
| InChI Key: | PMUFZQFGXVQWPX-UHFFFAOYSA-N |