N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0417 |
| Compound Name: | N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | CN1CCN(CCNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8515 |
| logD: | 0.8515 |
| logSw: | -1.967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.907 |
| InChI Key: | HGBLHECDIDNVTA-GOSISDBHSA-N |