[4-(3-cyclopropyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl](4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(3-cyclopropyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl](4-methyl-3-nitrophenyl)methanone
[4-(3-cyclopropyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl](4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V028-9022 |
| Compound Name: | [4-(3-cyclopropyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl](4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 471.52 |
| Molecular Formula: | C25 H25 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCCN(CC1)c1nc2ccccc2c2nnc(C3CC3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8493 |
| logD: | 3.849 |
| logSw: | -4.0478 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.384 |
| InChI Key: | SNQDZBFLOOLVQU-UHFFFAOYSA-N |