ethyl {4-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
ethyl {4-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
ethyl {4-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0300 |
| Compound Name: | ethyl {4-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(NCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5561 |
| logD: | 3.5561 |
| logSw: | -3.8566 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.35 |
| InChI Key: | KQMWDXZJGHOJNI-UHFFFAOYSA-N |