tert-butyl [(6-{3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Chemical Structure Depiction of
tert-butyl [(6-{3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
tert-butyl [(6-{3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Compound characteristics
| Compound ID: | C908-0395 |
| Compound Name: | tert-butyl [(6-{3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate |
| Molecular Weight: | 540.63 |
| Molecular Formula: | C29 H32 N8 O3 |
| Smiles: | Cc1c(CCC(Nc2ccc(cc2)c2nc3ccccc3[nH]2)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.3034 |
| logD: | 4.3016 |
| logSw: | -4.4264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.139 |
| InChI Key: | WVLIKFPNRKOOSN-UHFFFAOYSA-N |