3-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
3-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-nitrobenzoate
3-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | C472-0104 |
| Compound Name: | 3-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-nitrobenzoate |
| Molecular Weight: | 506.54 |
| Molecular Formula: | C29 H18 N2 O5 S |
| Smiles: | c1ccc2C3C(C(c4cccc(c4)OC(c4ccc(cc4)[N+]([O-])=O)=O)Sc4ccccc4N=3)=C(c2c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6106 |
| logD: | 4.2888 |
| logSw: | -5.7436 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.666 |
| InChI Key: | YMJMOBUDRRYOBW-MUUNZHRXSA-N |