N-(4-methoxyphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-methoxyphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0135 |
| Compound Name: | N-(4-methoxyphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C20 H27 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CSCC(NCCCN2CCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9954 |
| logD: | -1.0951 |
| logSw: | -2.6089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.263 |
| InChI Key: | FWYGVQRBBGPLMX-UHFFFAOYSA-N |