2-({7-[(3-methoxy-3-oxopropyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Chemical Structure Depiction of
2-({7-[(3-methoxy-3-oxopropyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
2-({7-[(3-methoxy-3-oxopropyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Compound characteristics
| Compound ID: | K786-2856 |
| Compound Name: | 2-({7-[(3-methoxy-3-oxopropyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C16 H20 N4 O7 S |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5494 |
| logD: | 3.5494 |
| logSw: | -3.8996 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.56 |
| InChI Key: | IBWBJYBDNQFYOX-UHFFFAOYSA-N |