N-{3-[benzyl(methyl)amino]propyl}-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-{3-[benzyl(methyl)amino]propyl}-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1031 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C27 H32 N4 O2 |
| Smiles: | CN(CCCNC(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.757 |
| logD: | 2.757 |
| logSw: | -3.2041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.542 |
| InChI Key: | BFSIHHIIURCVPF-JOCHJYFZSA-N |