4-methoxy-N-[2-(methylsulfanyl)ethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
4-methoxy-N-[2-(methylsulfanyl)ethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
4-methoxy-N-[2-(methylsulfanyl)ethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SD54-0294 |
| Compound Name: | 4-methoxy-N-[2-(methylsulfanyl)ethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C20 H25 N3 O2 S |
| Smiles: | COc1c2CCC(CCc2nc(c2ccccc2)n1)C(NCCSC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0323 |
| logD: | 4.0323 |
| logSw: | -4.1255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.118 |
| InChI Key: | PNGMTHQMOIOVRH-HNNXBMFYSA-N |