11-(3-nitrophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Chemical Structure Depiction of
11-(3-nitrophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
11-(3-nitrophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Compound characteristics
| Compound ID: | C472-0019 |
| Compound Name: | 11-(3-nitrophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C22 H14 N2 O3 S |
| Smiles: | c1ccc2C3C(C(c4cccc(c4)[N+]([O-])=O)Sc4ccccc4N=3)=C(c2c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5051 |
| logD: | 3.1833 |
| logSw: | -4.4465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.288 |
| InChI Key: | ZTQYNTGVQCHUOU-JOCHJYFZSA-N |