(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-phenylpropanoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-phenylpropanoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-phenylpropanoate
Compound characteristics
| Compound ID: | G265-0618 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-phenylpropanoate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(COC(CCc3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6365 |
| logD: | 4.6364 |
| logSw: | -4.6507 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.726 |
| InChI Key: | NGMOHOUBCAEHQE-UHFFFAOYSA-N |