4-ethoxy-2-phenyl-N-[(thiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
4-ethoxy-2-phenyl-N-[(thiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
4-ethoxy-2-phenyl-N-[(thiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SD54-0460 |
| Compound Name: | 4-ethoxy-2-phenyl-N-[(thiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | CCOc1c2CCC(CCc2nc(c2ccccc2)n1)C(NCc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1507 |
| logD: | 5.1507 |
| logSw: | -4.9929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.603 |
| InChI Key: | BLPLKHPLQVITAK-KRWDZBQOSA-N |