2,4-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
2,4-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,3-thiazole-5-carboxamide
2,4-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | S638-0117 |
| Compound Name: | 2,4-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 307.37 |
| Molecular Formula: | C13 H17 N5 O2 S |
| Smiles: | Cc1c(C(NC2CCC3=NNC(N3CC2)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2908 |
| logD: | 1.2843 |
| logSw: | -2.0924 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.452 |
| InChI Key: | NKDCIKJNKQBJLJ-VIFPVBQESA-N |