N-(4-methoxyphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methoxyphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0161 |
| Compound Name: | N-(4-methoxyphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C21 H30 N6 O3 S |
| Smiles: | CN1CCN(CCNC(CCCc2nnc(C(Nc3ccc(cc3)OC)=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.6389 |
| logD: | -0.0286 |
| logSw: | -2.1056 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.373 |
| InChI Key: | BBRPUKDXDAXJCO-UHFFFAOYSA-N |