N-(3-chloro-4-methoxyphenyl)-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-(3-chloro-4-methoxyphenyl)-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0945 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C23 H22 Cl N3 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4476 |
| logD: | 3.0912 |
| logSw: | -4.0065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.914 |
| InChI Key: | RYIAPSCGWBDGRL-HNNXBMFYSA-N |