N-butyl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-butyl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-butyl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | 3909-8838 |
| Compound Name: | N-butyl-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C21 H23 Cl N4 O3 S |
| Smiles: | CCCCNC(c1c(C)c2C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2025 |
| logD: | 4.2024 |
| logSw: | -4.6863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.917 |
| InChI Key: | HGODUVXNUJREKO-UHFFFAOYSA-N |