N-[2-(4-chlorophenyl)ethyl]-3-{1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-{1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[2-(4-chlorophenyl)ethyl]-3-{1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-2171 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-{1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 525.03 |
| Molecular Formula: | C26 H25 Cl N4 O4 S |
| Smiles: | Cc1cccc(c1)NC(CN1C(N(CCC(NCCc2ccc(cc2)[Cl])=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9456 |
| logD: | 3.9456 |
| logSw: | -4.2745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.726 |
| InChI Key: | PTQSCOMGGQVGEF-UHFFFAOYSA-N |