N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0051 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | CC1NC(C2CCC(CCC=2N=1)C(NCCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2381 |
| logD: | 1.2227 |
| logSw: | -2.0451 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.673 |
| InChI Key: | NODWUHAIYMVQTB-ZDUSSCGKSA-N |