N-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-nitrobenzamide
N-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | G943-0720 |
| Compound Name: | N-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-nitrobenzamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | C1CCC(C1)N1C(c2ccccc2Sc2cc(ccc12)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5179 |
| logD: | 5.5176 |
| logSw: | -5.8185 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.461 |
| InChI Key: | ASMDWBBEGSPHJR-UHFFFAOYSA-N |