N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1016 |
| Compound Name: | N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C24 H31 N5 O3 |
| Smiles: | CN1CCN(CC1)C(CN(C)C(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5665 |
| logD: | 0.2102 |
| logSw: | -2.0699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.212 |
| InChI Key: | ZHFHKPNOVGBKTI-GOSISDBHSA-N |