N-cyclohexyl-2-(cyclopropylmethyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-2-(cyclopropylmethyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
N-cyclohexyl-2-(cyclopropylmethyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S636-1845 |
| Compound Name: | N-cyclohexyl-2-(cyclopropylmethyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C17 H27 N5 O2 |
| Smiles: | C1CCC(CC1)NC(N1CCC2=NN(CC3CC3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4779 |
| logD: | 2.477 |
| logSw: | -2.4366 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.363 |
| InChI Key: | YXALBXZMNBBQFC-UHFFFAOYSA-N |