N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-methyl-1H-pyrrole-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)-1-methyl-1H-pyrrole-2-carboxamide
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-methyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | S637-0435 |
| Compound Name: | N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-methyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C16 H21 N5 O |
| Smiles: | Cn1cccc1C(NC1CCc2nnc(C3CC3)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.988 |
| logD: | 1.8318 |
| logSw: | -2.2758 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.149 |
| InChI Key: | JZQDNUREHUKKDN-LBPRGKRZSA-N |