N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide
Compound characteristics
| Compound ID: | C241-1314 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C27 H30 N4 O6 S |
| Smiles: | C1CCC(CCNC(CN2C(N(CCC(NCc3ccc4c(c3)OCO4)=O)C(c3c2ccs3)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.8523 |
| logD: | 2.8523 |
| logSw: | -3.389 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.356 |
| InChI Key: | QAOHXXMFLCHQQJ-UHFFFAOYSA-N |