N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-2-carboxamide
Chemical Structure Depiction of
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-2-carboxamide
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-2-carboxamide
Compound characteristics
| Compound ID: | S637-0389 |
| Compound Name: | N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-2-carboxamide |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C20 H21 N5 O |
| Smiles: | C1Cc2nnc(C3CC3)n2CCC1NC(c1ccc2ccccc2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.591 |
| logD: | 2.4348 |
| logSw: | -3.0763 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.063 |
| InChI Key: | KHGGCHRSVPSBBB-HNNXBMFYSA-N |