N-[2-(3,4-dimethoxyphenyl)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | C367-0036 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | COc1ccc(CCNC(C2=CC=CN3C2=Nc2c(C3=O)c3CCCCc3s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6959 |
| logD: | 2.6959 |
| logSw: | -3.1386 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.844 |
| InChI Key: | LYXLPOHURNHBMN-UHFFFAOYSA-N |