9-(adamantan-1-yl)-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Chemical Structure Depiction of
9-(adamantan-1-yl)-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
9-(adamantan-1-yl)-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8017-0033 |
| Compound Name: | 9-(adamantan-1-yl)-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole |
| Molecular Weight: | 554.67 |
| Molecular Formula: | C32 H30 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CC2=Cc3cc(ccc3Oc3cc(cc1c23)[N+]([O-])=O)C12CC3CC(CC(C3)C2)C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.3028 |
| logD: | 8.3028 |
| logSw: | -5.9701 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.978 |
| InChI Key: | PPJNFWABBFQEIU-UHFFFAOYSA-N |