N-(butan-2-yl)-N-(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-4-hexylbenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-4-hexylbenzamide
N-(butan-2-yl)-N-(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-4-hexylbenzamide
Compound characteristics
| Compound ID: | V002-1112 |
| Compound Name: | N-(butan-2-yl)-N-(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-4-hexylbenzamide |
| Molecular Weight: | 527.13 |
| Molecular Formula: | C28 H35 Cl N4 O2 S |
| Smiles: | CCCCCCc1ccc(cc1)C(N(CCC(Nc1nnc(c2cccc(c2)[Cl])s1)=O)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.3344 |
| logD: | 8.3341 |
| logSw: | -6.3646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.179 |
| InChI Key: | SUOAEDQPFSMVLW-FQEVSTJZSA-N |