methyl {4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0095 |
| Compound Name: | methyl {4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1514 |
| logD: | 3.1514 |
| logSw: | -3.5151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.26 |
| InChI Key: | IZQDUASKZWWQGR-UHFFFAOYSA-N |