ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-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-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0050 |
| Compound Name: | ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C20 H24 N4 O5 S2 |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3615 |
| logD: | 1.3368 |
| logSw: | -3.6967 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.85 |
| InChI Key: | FXWKDLRYMLTLMN-UHFFFAOYSA-N |