3,3-dimethyl-12-(4-nitrophenyl)-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
Chemical Structure Depiction of
3,3-dimethyl-12-(4-nitrophenyl)-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
3,3-dimethyl-12-(4-nitrophenyl)-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
Compound characteristics
| Compound ID: | 6254-0016 |
| Compound Name: | 3,3-dimethyl-12-(4-nitrophenyl)-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[N+]([O-])=O)n3c4ccccc4nc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5178 |
| logD: | 4.501 |
| logSw: | -4.4276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.983 |
| InChI Key: | XHCDNKIAVGWKPL-FQEVSTJZSA-N |