N-[2-(5-methyl-1H-indol-3-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-(5-methyl-1H-indol-3-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0404 |
| Compound Name: | N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C27 H28 N4 O2 |
| Smiles: | Cc1ccc2c(c1)c(CCNC(C1CCC3=C(CC1)N=C(c1ccccc1)NC3=O)=O)c[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5991 |
| logD: | 3.2428 |
| logSw: | -3.7239 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.318 |
| InChI Key: | UNQARCAIMIOXCV-LJQANCHMSA-N |