N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C610-0232 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C20 H18 F N7 O3 S2 |
| Smiles: | CCc1nnc(NC(CSc2c3C(N(C)C(N(C)c3nc(c3ccc(cc3)F)n2)=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1732 |
| logD: | 4.1295 |
| logSw: | -4.3205 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.974 |
| InChI Key: | LWZNUUJHZBWEHU-UHFFFAOYSA-N |