N-(3-methylbutyl)-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-(3-methylbutyl)-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0987 |
| Compound Name: | N-(3-methylbutyl)-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C21 H27 N3 O2 |
| Smiles: | CC(C)CCNC(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8923 |
| logD: | 2.536 |
| logSw: | -3.3133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.719 |
| InChI Key: | VJYLRCOYWJNJNV-MRXNPFEDSA-N |