3-nitro-N-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide
Chemical Structure Depiction of
3-nitro-N-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide
3-nitro-N-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide
Compound characteristics
| Compound ID: | G943-0420 |
| Compound Name: | 3-nitro-N-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4427 |
| logD: | 5.4424 |
| logSw: | -5.362 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.123 |
| InChI Key: | RTBKZKWCQQCTCJ-UHFFFAOYSA-N |