2-(2-chloro-6-fluorophenyl)-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
Chemical Structure Depiction of
2-(2-chloro-6-fluorophenyl)-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
2-(2-chloro-6-fluorophenyl)-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
Compound characteristics
| Compound ID: | S638-0840 |
| Compound Name: | 2-(2-chloro-6-fluorophenyl)-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C19 H22 Cl F N4 O2 |
| Smiles: | C1CC2=NN(CC3CC3)C(N2CCC1NC(Cc1c(cccc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.028 |
| logD: | 3.022 |
| logSw: | -3.537 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.772 |
| InChI Key: | NUNQKRBZXANMJD-ZDUSSCGKSA-N |