N-cyclopropyl-1-(6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-cyclopropyl-1-(6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
N-cyclopropyl-1-(6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-0911 |
| Compound Name: | N-cyclopropyl-1-(6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSc1cc(ncn1)N1CCC(CC1)C(NC1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9376 |
| logD: | 2.9375 |
| logSw: | -3.5508 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.217 |
| InChI Key: | XTWFTIKRTWEQNG-UHFFFAOYSA-N |