11-(6-nitro-2H-1,3-benzodioxol-5-yl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
Chemical Structure Depiction of
11-(6-nitro-2H-1,3-benzodioxol-5-yl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
11-(6-nitro-2H-1,3-benzodioxol-5-yl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
Compound characteristics
| Compound ID: | Y020-7772 |
| Compound Name: | 11-(6-nitro-2H-1,3-benzodioxol-5-yl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one |
| Molecular Weight: | 430.44 |
| Molecular Formula: | C23 H14 N2 O5 S |
| Smiles: | C1Oc2cc(C3C4=C(c5ccccc5C4=O)Nc4ccccc4S3)c(cc2O1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8902 |
| logD: | 4.8902 |
| logSw: | -4.7956 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.948 |
| InChI Key: | ZCHQGVZQXKGEJO-HSZRJFAPSA-N |