N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylurea
Chemical Structure Depiction of
N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylurea
N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylurea
Compound characteristics
| Compound ID: | T416-0049 |
| Compound Name: | N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylurea |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CN(C(Nc1ccc2c(c1)OCCO2)=O)c1nc2C(N(Cc3ccccc3)Cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7653 |
| logD: | 2.7653 |
| logSw: | -3.4044 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.579 |
| InChI Key: | FXQKNEZXRYNBNZ-UHFFFAOYSA-N |