N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)thiophene-2-sulfonamide
Chemical Structure Depiction of
N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)thiophene-2-sulfonamide
N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | F881-0442 |
| Compound Name: | N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)thiophene-2-sulfonamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C19 H15 N3 O3 S3 |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)Sc1ccccc1NS(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8806 |
| logD: | 2.8755 |
| logSw: | -3.3414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.924 |
| InChI Key: | DKRFPICHOXHMLU-UHFFFAOYSA-N |