N-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)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: | C241-1580 |
| Compound Name: | N-[(2-chlorophenyl)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: | 571.14 |
| Molecular Formula: | C29 H35 Cl N4 O4 S |
| Smiles: | C(CCC(NCc1ccccc1[Cl])=O)CCN1C(c2c(ccs2)N(CC(NCCC2CCCCC=2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.478 |
| logD: | 4.478 |
| logSw: | -4.3654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.24 |
| InChI Key: | HXMRAEVJZMAJEJ-UHFFFAOYSA-N |