2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-nitrothiophen-2-yl)methylidene]propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-nitrothiophen-2-yl)methylidene]propanehydrazide
2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-nitrothiophen-2-yl)methylidene]propanehydrazide
Compound characteristics
| Compound ID: | Y508-6440 |
| Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-nitrothiophen-2-yl)methylidene]propanehydrazide |
| Molecular Weight: | 506 |
| Molecular Formula: | C20 H20 Cl N7 O3 S2 |
| Smiles: | CC(C(N/N=C/c1ccc([N+]([O-])=O)s1)=O)Sc1nnc(CNc2ccc(cc2)[Cl])n1CC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7825 |
| logD: | 4.7824 |
| logSw: | -4.8936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.04 |
| InChI Key: | YBVKYCRCQKQMPU-ZDUSSCGKSA-N |