methyl 4-{[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]methyl}benzoate
methyl 4-{[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | G721-0284 |
| Compound Name: | methyl 4-{[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | CCCCc1cnc2c(C(N(C)C(N2C)=O)=O)c1SCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3985 |
| logD: | 4.3981 |
| logSw: | -4.4245 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.664 |
| InChI Key: | IKRBFSDEBNWJHZ-UHFFFAOYSA-N |