ethyl 4-amino-2-[(2-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(2-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0128 |
| Compound Name: | ethyl 4-amino-2-[(2-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C19 H22 N4 O5 S2 |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9792 |
| logD: | 0.9545 |
| logSw: | -3.3496 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.27 |
| InChI Key: | KBUXLRUPHXXWFB-UHFFFAOYSA-N |