methyl 4-({[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate
methyl 4-({[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | G721-0136 |
| Compound Name: | methyl 4-({[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CC(C)c1cnc2c(C(N(C)C(N2C)=O)=O)c1SCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7775 |
| logD: | 3.7754 |
| logSw: | -4.1358 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.664 |
| InChI Key: | WEOIEGOYOBNCMJ-UHFFFAOYSA-N |