(4-methyl-3-nitrophenyl)[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(4-methyl-3-nitrophenyl)[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methanone
(4-methyl-3-nitrophenyl)[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | V021-6163 |
| Compound Name: | (4-methyl-3-nitrophenyl)[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 507.55 |
| Molecular Formula: | C28 H25 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7348 |
| logD: | 4.6737 |
| logSw: | -4.8832 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.861 |
| InChI Key: | CEAYTTSVDNIMFT-UHFFFAOYSA-N |