5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0712 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C21 H19 Cl F N3 O4 S2 |
| Smiles: | C1CS(CC1N(Cc1ccco1)C(c1c(cnc(n1)SCc1ccccc1F)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4797 |
| logD: | 3.4797 |
| logSw: | -3.6193 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.922 |
| InChI Key: | VRPYEDFYZLIFRP-HNNXBMFYSA-N |