1-[4-(3-benzyl-8-chloro[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-[4-(3-benzyl-8-chloro[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
1-[4-(3-benzyl-8-chloro[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V022-7959 |
| Compound Name: | 1-[4-(3-benzyl-8-chloro[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one |
| Molecular Weight: | 491.04 |
| Molecular Formula: | C27 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(Cc3ccccc3)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5909 |
| logD: | 5.5746 |
| logSw: | -5.8607 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.501 |
| InChI Key: | OBTQCJZTBXQEHI-UHFFFAOYSA-N |