4-(4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
Chemical Structure Depiction of
4-(4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
4-(4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
Compound characteristics
| Compound ID: | 8017-8599 |
| Compound Name: | 4-(4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C27 H23 N3 O |
| Smiles: | Cc1c(C2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c(C)[nH]c1C#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9423 |
| logD: | 5.9423 |
| logSw: | -5.8496 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.795 |
| InChI Key: | GPABDPQMTMSXPK-SANMLTNESA-N |