4-methoxy-2-phenyl-N-[(thiophen-3-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
4-methoxy-2-phenyl-N-[(thiophen-3-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
4-methoxy-2-phenyl-N-[(thiophen-3-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SD54-0046 |
| Compound Name: | 4-methoxy-2-phenyl-N-[(thiophen-3-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | COc1c2CCC(CCc2nc(c2ccccc2)n1)C(NCc1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5739 |
| logD: | 4.5739 |
| logSw: | -4.4092 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.023 |
| InChI Key: | IBDBZDZNNCONGK-KRWDZBQOSA-N |