4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Chemical Structure Depiction of
4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Compound characteristics
| Compound ID: | 2036-0804 |
| Compound Name: | 4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone |
| Molecular Weight: | 596.9 |
| Molecular Formula: | C29 H13 Cl N4 O9 |
| Smiles: | c1cc(cc(c1)N1C(c2cc3C(N(C(c3c(C(c3ccc(cc3)[Cl])=O)c2C1=O)=O)c1cccc(c1)[N+]([O-])=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7824 |
| logD: | 3.7824 |
| logSw: | -4.7609 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 137.751 |
| InChI Key: | XBCQWDJEIMDSLM-UHFFFAOYSA-N |