cyclopropyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
cyclopropyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
cyclopropyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V023-9503 |
| Compound Name: | cyclopropyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C24 H23 N7 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)C(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3937 |
| logD: | 3.3877 |
| logSw: | -3.8604 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.384 |
| InChI Key: | BHUHCLDGKPLTTM-UHFFFAOYSA-N |