N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide
Chemical Structure Depiction of
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide
Compound characteristics
| Compound ID: | IB07-1885 |
| Compound Name: | N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | C1COc2ccc(cc2OC1)c1csc(NC(CCC2C(=Nc3ccccc3C(N2)=O)O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7 |
| logD: | 0.84 |
| logSw: | -4.25 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 175.68 |
| InChI Key: | GTFQZIVTHZXSMV-KRWDZBQOSA-N |