methyl {4-[(1-{[(3-methoxyphenyl)methyl]amino}-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(1-{[(3-methoxyphenyl)methyl]amino}-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(1-{[(3-methoxyphenyl)methyl]amino}-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0219 |
| Compound Name: | methyl {4-[(1-{[(3-methoxyphenyl)methyl]amino}-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | CC(C(NCc1cccc(c1)OC)=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4001 |
| logD: | 3.4001 |
| logSw: | -3.9241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.983 |
| InChI Key: | GANQYIBALRKLRE-HNNXBMFYSA-N |