N-benzyl-2-methyl-4-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-benzyl-2-methyl-4-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide
N-benzyl-2-methyl-4-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V025-8812 |
| Compound Name: | N-benzyl-2-methyl-4-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide |
| Molecular Weight: | 491.6 |
| Molecular Formula: | C29 H29 N7 O |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(NCc1ccccc1)=O)c1nc2ccccc2c2nnc(c3cccc(C)c3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1093 |
| logD: | 4.8425 |
| logSw: | -5.2341 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.811 |
| InChI Key: | RLMYLFFAJGPRIA-NRFANRHFSA-N |