2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | G721-0078 |
| Compound Name: | 2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C18 H22 N6 O3 S3 |
| Smiles: | CCSc1nnc(NC(CSc2c(cnc3c2C(N(C)C(N3C)=O)=O)C(C)C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7052 |
| logD: | 3.7019 |
| logSw: | -4.0792 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.546 |
| InChI Key: | NTOMSHHIYNBHNT-UHFFFAOYSA-N |