7-acetyl-1-benzyl-3-(3-chloro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-acetyl-1-benzyl-3-(3-chloro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-1-benzyl-3-(3-chloro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C728-0736 |
| Compound Name: | 7-acetyl-1-benzyl-3-(3-chloro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(Cc4ccccc4)c3sc2C1)=O)c1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7684 |
| logD: | 4.7684 |
| logSw: | -4.9574 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.856 |
| InChI Key: | BRFZWJOOGIWTNO-UHFFFAOYSA-N |