2-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1256 |
| Compound Name: | 2-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C24 H33 N5 O2 |
| Smiles: | CC1NC(C2CCC(CCC=2N=1)C(NCCCN1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3528 |
| logD: | 0.7667 |
| logSw: | -1.9866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.634 |
| InChI Key: | DTXBJTGCCKOUAJ-LJQANCHMSA-N |