7-acetyl-1-butyl-3-(3-chloro-4-fluorophenyl)-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-butyl-3-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-1-butyl-3-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C728-0604 |
| Compound Name: | 7-acetyl-1-butyl-3-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 449.93 |
| Molecular Formula: | C21 H21 Cl F N3 O3 S |
| Smiles: | CCCCN1C(N(C(c2c3CCN(Cc3sc12)C(C)=O)=O)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7979 |
| logD: | 3.7979 |
| logSw: | -4.5289 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.407 |
| InChI Key: | PWDNZOLHQOTUIV-UHFFFAOYSA-N |