N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide
Compound characteristics
Compound ID: | G072-1905 |
Compound Name: | N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide |
Molecular Weight: | 483.59 |
Molecular Formula: | C21 H17 N5 O3 S3 |
Smiles: | CC(C)C1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(c3ccco3)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.6473 |
logD: | 4.6431 |
logSw: | -4.413 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.022 |
InChI Key: | RRPVECNCZDNFSN-UHFFFAOYSA-N |