N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
Compound characteristics
Compound ID: | C241-1403 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide |
Molecular Weight: | 552.65 |
Molecular Formula: | C28 H32 N4 O6 S |
Smiles: | C1CCC(CCNC(CN2C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)C(c3c2ccs3)=O)=O)=O)=CC1 |
Stereo: | ACHIRAL |
logP: | 2.599 |
logD: | 2.599 |
logSw: | -3.1104 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 98.356 |
InChI Key: | HGXAQYNTNZRZMG-UHFFFAOYSA-N |