2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate
Chemical Structure Depiction of
2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate
2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate
Compound characteristics
| Compound ID: | K786-2870 |
| Compound Name: | 2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate |
| Molecular Weight: | 436.87 |
| Molecular Formula: | C18 H17 Cl N4 O5 S |
| Smiles: | CCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8758 |
| logD: | 4.8758 |
| logSw: | -4.9333 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.709 |
| InChI Key: | HMYSVAJDFFPQJG-UHFFFAOYSA-N |