1-(6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
1-(6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1256 |
| Compound Name: | 1-(6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C24 H33 N5 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1cc(ncn1)N1CCC(CC1)C(NCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8115 |
| logD: | 4.8114 |
| logSw: | -4.5067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.514 |
| InChI Key: | HWMUNGRGXWTNRY-UHFFFAOYSA-N |