2-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F145-0583 |
| Compound Name: | 2-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C26 H32 N4 O2 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCC1NC(c2c3CCCCCc3sc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7535 |
| logD: | 4.7528 |
| logSw: | -4.4446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.406 |
| InChI Key: | SGCLGBOPUOCNAL-UHFFFAOYSA-N |