methyl {4-[(2-amino-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(2-amino-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(2-amino-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0067 |
| Compound Name: | methyl {4-[(2-amino-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 305.35 |
| Molecular Formula: | C14 H15 N3 O3 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1638 |
| logD: | 1.1638 |
| logSw: | -2.127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.414 |
| InChI Key: | IMGHTIRKAZPHCX-UHFFFAOYSA-N |