N-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)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: | C241-2067 |
| Compound Name: | N-[(2-chlorophenyl)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: | 529.06 |
| Molecular Formula: | C26 H29 Cl N4 O4 S |
| Smiles: | C1CCC(CCNC(CN2C(N(CCC(NCc3ccccc3[Cl])=O)C(c3c2ccs3)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.7212 |
| logD: | 3.7212 |
| logSw: | -3.9638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.24 |
| InChI Key: | BUZDUZLFASYDEF-UHFFFAOYSA-N |