N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G755-0170 |
| Compound Name: | N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C16 H11 N5 O2 S3 |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)Sc1nnc(NC(c2cccs2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8965 |
| logD: | 2.8905 |
| logSw: | -3.3773 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.969 |
| InChI Key: | KUMPMYHBPSVCTN-UHFFFAOYSA-N |