N-(2-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | G072-2188 |
| Compound Name: | N-(2-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C24 H20 N4 O2 S3 |
| Smiles: | CC1=CSC2=NC(CSc3nc4ccc(cc4s3)NC(CCc3ccccc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.869 |
| logD: | 4.8689 |
| logSw: | -4.6555 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.546 |
| InChI Key: | VMHJDIJWGGKJME-UHFFFAOYSA-N |