3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-nitrobenzoate
3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-5389 |
| Compound Name: | 3-(12-oxo-11,12-dihydro-5H-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: | c1ccc2C(C3C(c4cccc(c4)OC(c4ccc(cc4)[N+]([O-])=O)=O)Sc4ccccc4NC=3c2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.218 |
| logD: | 6.2179 |
| logSw: | -6.0724 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.511 |
| InChI Key: | DJPCTDNXHIIIMO-MUUNZHRXSA-N |