N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0453 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C26 H29 N3 O4 |
| Smiles: | COc1ccc(CCNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3164 |
| logD: | 1.9601 |
| logSw: | -3.0682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.709 |
| InChI Key: | BQSBSGFYMIWNSM-LJQANCHMSA-N |