methyl {5-[2-(butylamino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(butylamino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(butylamino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
Compound ID: | F404-0302 |
Compound Name: | methyl {5-[2-(butylamino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
Molecular Weight: | 345.4 |
Molecular Formula: | C18 H23 N3 O4 |
Smiles: | CCCCNC(CN1C(C=C(CC(=O)OC)Nc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.6499 |
logD: | 1.2884 |
logSw: | -2.34 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.74 |
InChI Key: | RXQADUFYGALPSY-UHFFFAOYSA-N |