methyl (4-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0945 |
| Compound Name: | methyl (4-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CCc1cccc(C)c1NC(CSC1C=C(CC(=O)OC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9936 |
| logD: | 3.9935 |
| logSw: | -4.0877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.508 |
| InChI Key: | IQHPDGDODPZNOV-UHFFFAOYSA-N |