N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)thiophene-2-sulfonamide
Chemical Structure Depiction of
N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)thiophene-2-sulfonamide
N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | F881-0391 |
| Compound Name: | N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)thiophene-2-sulfonamide |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C20 H17 N3 O3 S3 |
| Smiles: | CC1=CC=CN2C1=NC(CSc1ccccc1NS(c1cccs1)(=O)=O)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.2448 |
| logD: | 3.2397 |
| logSw: | -3.4754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.944 |
| InChI Key: | LQAVVMSFNDGTBJ-UHFFFAOYSA-N |