N-[2-({[2-(2-methylpropyl)-5-oxo-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-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide
N-[2-({[2-(2-methylpropyl)-5-oxo-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: | G072-1974 |
| Compound Name: | N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]furan-2-carboxamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C22 H19 N5 O3 S3 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(c3ccco3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.0388 |
| logD: | 5.0374 |
| logSw: | -4.6833 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.925 |
| InChI Key: | KUCZAYYFNBSWGZ-UHFFFAOYSA-N |