N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[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]hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[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]hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[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]hexanamide
Compound characteristics
| Compound ID: | C241-1537 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[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]hexanamide |
| Molecular Weight: | 580.7 |
| Molecular Formula: | C30 H36 N4 O6 S |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C(c2c(ccs2)N(CC(NCCC2CCCCC=2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6091 |
| logD: | 3.6091 |
| logSw: | -3.6824 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.356 |
| InChI Key: | DDOOJCLWJOTSKM-UHFFFAOYSA-N |