N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0420 |
| Compound Name: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C22 H24 N4 O3 |
| Smiles: | Cc1c(CNC(C2CCC3=C(CC2)N=C(c2ccccc2)NC3=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9716 |
| logD: | 1.6152 |
| logSw: | -2.3644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.644 |
| InChI Key: | YDSQKYBVNNJXDQ-MRXNPFEDSA-N |