tert-butyl 3-(pyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxylate
Chemical Structure Depiction of
tert-butyl 3-(pyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxylate
tert-butyl 3-(pyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxylate
Compound characteristics
| Compound ID: | S841-0197 |
| Compound Name: | tert-butyl 3-(pyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxylate |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C15 H25 N5 O2 |
| Smiles: | CC(C)(C)OC(N1CCc2nnc(C3CCNC3)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1095 |
| logD: | -2.9206 |
| logSw: | -1.4761 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.602 |
| InChI Key: | KCCXSEUTNGCYIO-NSHDSACASA-N |