N-(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carboxamide
Chemical Structure Depiction of
N-(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carboxamide
N-(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carboxamide
Compound characteristics
| Compound ID: | C800-0623 |
| Compound Name: | N-(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carboxamide |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C26 H25 Cl N4 O2 |
| Smiles: | C1CC2CN(C(Nc3ccc(cc3)C(NCc3ccc(cc3)[Cl])=O)=O)c3ccccc3N2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6394 |
| logD: | 4.6393 |
| logSw: | -4.9593 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.712 |
| InChI Key: | DRYULHVNAAPWCV-JOCHJYFZSA-N |