rel-(6R,9S)-2-(cyclopropylmethyl)-11-(1,3-thiazole-4-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
Chemical Structure Depiction of
rel-(6R,9S)-2-(cyclopropylmethyl)-11-(1,3-thiazole-4-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
rel-(6R,9S)-2-(cyclopropylmethyl)-11-(1,3-thiazole-4-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
Compound characteristics
| Compound ID: | SA13-0693 |
| Compound Name: | rel-(6R,9S)-2-(cyclopropylmethyl)-11-(1,3-thiazole-4-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C16 H19 N5 O2 S |
| Smiles: | C1CC1CN1C(N2C[C@H]3CC[C@@H](CC2=N1)N3C(c1cscn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9399 |
| logD: | 0.9387 |
| logSw: | -1.6499 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.929 |
| InChI Key: | OIIZPARVWPPMPF-UHFFFAOYSA-N |