ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate
Chemical Structure Depiction of
ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate
ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate
Compound characteristics
| Compound ID: | V013-5271 |
| Compound Name: | ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C22 H29 N5 O4 S |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(NCCCC(=O)OCC)=O)c1c(cccn1)C(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5851 |
| logD: | 2.5847 |
| logSw: | -3.1382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.974 |
| InChI Key: | SJOOHJLCMSMFKD-UHFFFAOYSA-N |