N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-nitrobenzamide
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | G943-0120 |
| Compound Name: | N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-nitrobenzamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C21 H15 N3 O4 S |
| Smiles: | CN1C(c2ccccc2Sc2cc(ccc12)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.037 |
| logD: | 4.0367 |
| logSw: | -4.2785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.911 |
| InChI Key: | XJYGBLQVNDRERH-UHFFFAOYSA-N |