[4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
[4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V022-6982 |
| Compound Name: | [4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 465.9 |
| Molecular Formula: | C22 H20 Cl N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1nc2cc(ccc2c2nnc(C)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4408 |
| logD: | 3.287 |
| logSw: | -4.0218 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.578 |
| InChI Key: | NIWVLDDDTLCMCI-UHFFFAOYSA-N |