N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}acetamide
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G432-0301 |
| Compound Name: | N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}acetamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C19 H23 N5 O2 S3 |
| Smiles: | CCCCc1nnc(NC(CSCC2=CC(N3C4CCCCC=4SC3=N2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6987 |
| logD: | 3.6487 |
| logSw: | -3.7857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.293 |
| InChI Key: | XYZQUALEJFOGQL-UHFFFAOYSA-N |