4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
Chemical Structure Depiction of
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
Compound characteristics
| Compound ID: | Y042-2957 |
| Compound Name: | 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine |
| Molecular Weight: | 248.3 |
| Molecular Formula: | C12 H12 N2 O2 S |
| Smiles: | C1COc2ccc(cc2OC1)c1csc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0218 |
| logD: | 2.0201 |
| logSw: | -2.5678 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.924 |
| InChI Key: | ATRBJXZCQKLIBW-UHFFFAOYSA-N |