N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | S638-0875 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C17 H23 N5 O2 S |
| Smiles: | Cc1c(C(NC2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2555 |
| logD: | 2.2495 |
| logSw: | -2.326 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.374 |
| InChI Key: | RNBADTZZTKILEW-ZDUSSCGKSA-N |