N,N,5-trimethyl-1-[(2-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-[(2-methylphenyl)methyl]-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
N,N,5-trimethyl-1-[(2-methylphenyl)methyl]-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0429 |
| Compound Name: | N,N,5-trimethyl-1-[(2-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: | Cc1ccccc1CN1C(N(C(c2c(C)c(C(N(C)C)=O)sc12)=O)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8116 |
| logD: | 3.8116 |
| logSw: | -4.1518 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.887 |
| InChI Key: | YBMKZYSWESQTFZ-UHFFFAOYSA-N |