1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C200-0339 |
| Compound Name: | 1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 453 |
| Molecular Formula: | C25 H25 Cl N2 O2 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3)C(C)(C)C)c2sc1C)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9882 |
| logD: | 6.9882 |
| logSw: | -6.596 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.107 |
| InChI Key: | NQYSICYAXUCVIR-UHFFFAOYSA-N |