N-{5-[(2-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide
Chemical Structure Depiction of
N-{5-[(2-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide
N-{5-[(2-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide
Compound characteristics
| Compound ID: | K401-4506 |
| Compound Name: | N-{5-[(2-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pentanamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C17 H17 N7 O4 S3 |
| Smiles: | CCCCC(Nc1nnc(SCC(Nc2nnc(c3cccc(c3)[N+]([O-])=O)s2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1135 |
| logD: | 4.1111 |
| logSw: | -4.149 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.826 |
| InChI Key: | HCIVEDCPHQXTTD-UHFFFAOYSA-N |