N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[2-(5-chloro-2-methylanilino)-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-(5-chloro-2-methylanilino)-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-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1337 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 555.01 |
| Molecular Formula: | C26 H23 Cl N4 O6 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(N(CCC(NCc2ccc3c(c2)OCO3)=O)C(c2c1ccs2)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5865 |
| logD: | 3.5863 |
| logSw: | -3.9543 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.302 |
| InChI Key: | XOBTTXVMEDVVDR-UHFFFAOYSA-N |