2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one
2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y021-1454 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C23 H19 N3 O S |
| Smiles: | C1Cc2ccccc2N(C(CSc2nc3ccccc3[nH]2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9554 |
| logD: | 4.955 |
| logSw: | -4.8122 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.686 |
| InChI Key: | NXYXXPURQYJOQC-UHFFFAOYSA-N |