2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
Chemical Structure Depiction of
2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
Compound characteristics
| Compound ID: | K786-2849 |
| Compound Name: | 2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate |
| Molecular Weight: | 450.9 |
| Molecular Formula: | C19 H19 Cl N4 O5 S |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3438 |
| logD: | 5.3438 |
| logSw: | -5.802 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.709 |
| InChI Key: | NLOKPRLWDTVJAH-UHFFFAOYSA-N |