11-(4-oxo-4H-1-benzopyran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-oxo-4H-1-benzopyran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-oxo-4H-1-benzopyran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4886-7558 |
| Compound Name: | 11-(4-oxo-4H-1-benzopyran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C26 H20 N2 O3 S |
| Smiles: | C1C(CC(C2C(C3=CC(c4ccccc4O3)=O)Nc3ccccc3NC1=2)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5408 |
| logD: | 4.4791 |
| logSw: | -4.6856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.313 |
| InChI Key: | KBXAJVANAVAWLX-UHFFFAOYSA-N |