5-(3-{[3-(azepan-1-yl)butyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[3-(azepan-1-yl)butyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(3-{[3-(azepan-1-yl)butyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0659 |
| Compound Name: | 5-(3-{[3-(azepan-1-yl)butyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C22 H31 N5 O2 S |
| Smiles: | CC(CCNC(CCc1nnc(C(Nc2ccccc2)=O)s1)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2793 |
| logD: | -0.7111 |
| logSw: | -2.8107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.342 |
| InChI Key: | NUGAMFMJBIWODT-KRWDZBQOSA-N |