N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | IB06-0101 |
| Compound Name: | N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1c(C(Nc2ccc3c(c2)OCCCO3)=O)sc(c2ccc(cc2)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 3.8 |
| logSw: | -4.78 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.37 |
| InChI Key: | DOBZLVXDBBMBFP-UHFFFAOYSA-N |