ethyl 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C663-0721 |
| Compound Name: | ethyl 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 435.95 |
| Molecular Formula: | C18 H18 Cl N5 O2 S2 |
| Smiles: | CCOC(C(C)Sc1nnc(CSc2ncccn2)n1c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5689 |
| logD: | 3.5683 |
| logSw: | -3.7433 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.871 |
| InChI Key: | BEEAVAREKUNFER-LBPRGKRZSA-N |