(4-methoxyphenyl){4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-methoxyphenyl){4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
(4-methoxyphenyl){4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V011-5089 |
| Compound Name: | (4-methoxyphenyl){4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 523.55 |
| Molecular Formula: | C28 H25 N7 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9358 |
| logD: | 3.9298 |
| logSw: | -4.032 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.405 |
| InChI Key: | WQGBIHLAANPGRX-UHFFFAOYSA-N |