N,N,5-trimethyl-1-[(4-methylphenyl)methyl]-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N,N,5-trimethyl-1-[(4-methylphenyl)methyl]-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
N,N,5-trimethyl-1-[(4-methylphenyl)methyl]-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0425 |
| Compound Name: | N,N,5-trimethyl-1-[(4-methylphenyl)methyl]-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | Cc1ccc(CN2C(N(C(c3c(C)c(C(N(C)C)=O)sc23)=O)c2ccccc2[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6163 |
| logD: | 3.6163 |
| logSw: | -4.0624 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.887 |
| InChI Key: | SXDYCLAYRIWKRF-UHFFFAOYSA-N |