N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | D333-0275 |
| Compound Name: | N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C25 H23 N3 O4 S2 |
| Smiles: | Cc1cccc(c1)OCc1nc(C)c(C(Nc2nc(cs2)c2ccc3c(c2)OCCCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6569 |
| logD: | 5.656 |
| logSw: | -5.354 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.564 |
| InChI Key: | NRYWPARRZGBALC-UHFFFAOYSA-N |