5-{[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0136 |
| Compound Name: | 5-{[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C21 H29 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CSCC(NCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7324 |
| logD: | 1.4392 |
| logSw: | -3.2975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.228 |
| InChI Key: | OPXWRKXWDFTMSP-UHFFFAOYSA-N |