cyclopentyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
cyclopentyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
cyclopentyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V015-1353 |
| Compound Name: | cyclopentyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 485.55 |
| Molecular Formula: | C26 H27 N7 O3 |
| Salt: | not_available |
| Smiles: | C1CCC(C1)C(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1767 |
| logD: | 4.1707 |
| logSw: | -4.4277 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.419 |
| InChI Key: | BWOARRGNVCOMCL-UHFFFAOYSA-N |