methyl {4-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0075 |
| Compound Name: | methyl {4-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(NCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1035 |
| logD: | 3.1035 |
| logSw: | -3.5528 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.77 |
| InChI Key: | FPJHGPMXLXWWBD-UHFFFAOYSA-N |