(4-chlorophenyl){4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-chlorophenyl){4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
(4-chlorophenyl){4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V023-9787 |
| Compound Name: | (4-chlorophenyl){4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 517.42 |
| Molecular Formula: | C27 H22 Cl2 N6 O |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3ccccc3[Cl])n12)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4022 |
| logD: | 5.3371 |
| logSw: | -5.7956 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.78 |
| InChI Key: | KBUDDKWCZQYYHP-UHFFFAOYSA-N |