ethyl {4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
ethyl {4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
ethyl {4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
Compound ID: | F405-0942 |
Compound Name: | ethyl {4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
Molecular Weight: | 415.53 |
Molecular Formula: | C20 H21 N3 O3 S2 |
Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(NCc1cccs1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4338 |
logD: | 3.4338 |
logSw: | -3.745 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.824 |
InChI Key: | HDEQEVBUGISHSM-UHFFFAOYSA-N |