propyl 3-{[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
propyl 3-{[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino}benzoate
propyl 3-{[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D082-0128 |
| Compound Name: | propyl 3-{[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | CCCC1=CC(N2C(=C(C(Nc3ccccc3)=O)SC2=N1)C(Nc1cccc(c1)C(=O)OCCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1884 |
| logD: | 4.6579 |
| logSw: | -5.0725 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.913 |
| InChI Key: | UGEYAEZLCAPXCA-UHFFFAOYSA-N |