N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | J103-0351 |
| Compound Name: | N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | C1CCC2C(C1)=CC(N(CC(Nc1nc(cs1)c1ccc3c(c1)OCCCO3)=O)N=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0567 |
| logD: | 3.0567 |
| logSw: | -3.4478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.311 |
| InChI Key: | WUIKEORAAJHPSB-UHFFFAOYSA-N |