(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-benzamidobenzoate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-benzamidobenzoate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-benzamidobenzoate
Compound characteristics
| Compound ID: | G357-0998 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-benzamidobenzoate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Smiles: | CCCCC1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccccc3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6028 |
| logD: | 4.5986 |
| logSw: | -4.4592 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.395 |
| InChI Key: | DGUOEQOJZUEFGP-UHFFFAOYSA-N |