2-methyl-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-methyl-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-methyl-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
Compound ID: | SB25-0078 |
Compound Name: | 2-methyl-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
Molecular Weight: | 422.57 |
Molecular Formula: | C25 H34 N4 O2 |
Smiles: | CC1NC(C2CCC(CCC=2N=1)C(NCC1CCN(CC1)Cc1ccccc1C)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9075 |
logD: | 0.9392 |
logSw: | -3.0766 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.282 |
InChI Key: | VHCWJWIFOUHBOM-HXUWFJFHSA-N |