11-(6-nitro-2H-1,3-benzodioxol-5-yl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Chemical Structure Depiction of
11-(6-nitro-2H-1,3-benzodioxol-5-yl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
11-(6-nitro-2H-1,3-benzodioxol-5-yl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Compound characteristics
| Compound ID: | C472-0038 |
| Compound Name: | 11-(6-nitro-2H-1,3-benzodioxol-5-yl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol |
| Molecular Weight: | 430.44 |
| Molecular Formula: | C23 H14 N2 O5 S |
| Smiles: | C1Oc2cc(C3C4=C(c5ccccc5C4=Nc4ccccc4S3)O)c(cc2O1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2828 |
| logD: | 2.961 |
| logSw: | -4.3666 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.103 |
| InChI Key: | SNJPTWCYORETAQ-HSZRJFAPSA-N |