7-acetyl-3-(5-chloro-2-methylphenyl)-1-propyl-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-3-(5-chloro-2-methylphenyl)-1-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-3-(5-chloro-2-methylphenyl)-1-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C728-0636 |
| Compound Name: | 7-acetyl-3-(5-chloro-2-methylphenyl)-1-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | CCCN1C(N(C(c2c3CCN(Cc3sc12)C(C)=O)=O)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0068 |
| logD: | 4.0068 |
| logSw: | -4.696 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.106 |
| InChI Key: | XBFGCLISTYSUQI-UHFFFAOYSA-N |