{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(cyclopentyl)methanone
Chemical Structure Depiction of
{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(cyclopentyl)methanone
{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(cyclopentyl)methanone
Compound characteristics
| Compound ID: | V003-7639 |
| Compound Name: | {4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(cyclopentyl)methanone |
| Molecular Weight: | 519.99 |
| Molecular Formula: | C26 H26 Cl N7 O3 |
| Salt: | not_available |
| Smiles: | C1CCC(C1)C(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0822 |
| logD: | 5.0762 |
| logSw: | -5.343 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.419 |
| InChI Key: | PSPGHMDDFFZXCA-UHFFFAOYSA-N |