5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-1589 |
| Compound Name: | 5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450 |
| Molecular Formula: | C21 H28 Cl N5 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(CCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0105 |
| logD: | 0.3819 |
| logSw: | -3.6482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.684 |
| InChI Key: | FUJYUHADAGLTHC-UHFFFAOYSA-N |