methyl (4-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0013 |
| Compound Name: | methyl (4-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1C=C(CC(=O)OC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8381 |
| logD: | 3.8381 |
| logSw: | -3.9641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.508 |
| InChI Key: | TUDSQNHBQGLCEW-UHFFFAOYSA-N |