ethyl 4-{[8-methoxy-4,4-dimethyl-5-(4-nitrobenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[8-methoxy-4,4-dimethyl-5-(4-nitrobenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate
ethyl 4-{[8-methoxy-4,4-dimethyl-5-(4-nitrobenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | 4151-0225 |
| Compound Name: | ethyl 4-{[8-methoxy-4,4-dimethyl-5-(4-nitrobenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzoate |
| Molecular Weight: | 575.66 |
| Molecular Formula: | C29 H25 N3 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/C2=C(C(C)(C)N(C(c3ccc(cc3)[N+]([O-])=O)=O)c3ccc(cc23)OC)SS1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1387 |
| logD: | 6.1387 |
| logSw: | -5.4994 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 83.856 |
| InChI Key: | GBYFKSAAUWZHOK-UHFFFAOYSA-N |