N-benzyl-4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
N-benzyl-4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V014-8117 |
| Compound Name: | N-benzyl-4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 557.01 |
| Molecular Formula: | C28 H25 Cl N8 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2cc(ccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)[Cl])C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8468 |
| logD: | 4.8377 |
| logSw: | -5.0001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.004 |
| InChI Key: | WGWYRYHIMBCQDX-UHFFFAOYSA-N |