N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
Compound characteristics
| Compound ID: | C241-1398 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide |
| Molecular Weight: | 608.67 |
| Molecular Formula: | C30 H32 N4 O8 S |
| Smiles: | COc1ccc(CCNC(CN2C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)C(c3c2ccs3)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7456 |
| logD: | 1.7456 |
| logSw: | -2.5987 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.424 |
| InChI Key: | BNRQZUVBMXLJIY-UHFFFAOYSA-N |