N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
Compound ID: | G647-2965 |
Compound Name: | N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
Molecular Weight: | 468.6 |
Molecular Formula: | C22 H24 N6 O2 S2 |
Smiles: | CCC1NC2=NC(CSc3nc4ccc(cc4s3)NC(C3CCCCC3)=O)=CC(N2N=1)=O |
Stereo: | ACHIRAL |
logP: | 4.1202 |
logD: | 4.1202 |
logSw: | -4.1257 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.57 |
InChI Key: | RYTQUVCSXLDGQH-UHFFFAOYSA-N |