2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K788-6957 |
| Compound Name: | 2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 494.41 |
| Molecular Formula: | C24 H20 Br N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(CN=C(c2ccccc2)c2cc(ccc12)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5375 |
| logD: | 4.5375 |
| logSw: | -4.3203 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.091 |
| InChI Key: | QAIZEUAAVDEOQR-UHFFFAOYSA-N |