methyl (4-{[(2,4-dimethylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[(2,4-dimethylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[(2,4-dimethylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0118 |
| Compound Name: | methyl (4-{[(2,4-dimethylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | Cc1ccc(CSC2C=C(CC(=O)OC)Nc3ccccc3N=2)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0156 |
| logD: | 5.0156 |
| logSw: | -4.6428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.755 |
| InChI Key: | TVMXZLYVIUEEHY-UHFFFAOYSA-N |