N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0141 |
| Compound Name: | N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 512.97 |
| Molecular Formula: | C24 H21 Cl N4 O5 S |
| Smiles: | CCCN1C=Nc2c(C1=O)c(C)c(C(Nc1cc(cc(c1)Oc1ccc(c(C)c1)[Cl])[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.9368 |
| logD: | 5.6976 |
| logSw: | -6.3057 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.712 |
| InChI Key: | AWNZEDSCOAMXGT-UHFFFAOYSA-N |