N-benzyl-4-[3-(4-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[3-(4-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide
N-benzyl-4-[3-(4-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V003-5852 |
| Compound Name: | N-benzyl-4-[3-(4-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide |
| Molecular Weight: | 497.99 |
| Molecular Formula: | C27 H24 Cl N7 O |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)NC(N1CCN(CC1)c1nc2ccccc2c2nnc(c3ccc(cc3)[Cl])n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8901 |
| logD: | 4.829 |
| logSw: | -5.2282 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.592 |
| InChI Key: | CTUYXLOGSBQWEE-UHFFFAOYSA-N |