3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(3-methoxypropyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(3-methoxypropyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(3-methoxypropyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0309 |
| Compound Name: | 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(3-methoxypropyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C21 H23 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(NCCCOC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0824 |
| logD: | 3.0822 |
| logSw: | -3.6525 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.259 |
| InChI Key: | ZPHLGOUKIRYUMV-UHFFFAOYSA-N |