1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C200-0537 |
| Compound Name: | 1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 504.99 |
| Molecular Formula: | C26 H21 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCc3sc2N(CC2=CC(N3C=C(C=CC3=N2)[Cl])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2428 |
| logD: | 4.2428 |
| logSw: | -4.8435 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.899 |
| InChI Key: | LFIJBUKLHMXFDR-UHFFFAOYSA-N |