[9-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-10-sulfanylidene-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene]propanedinitrile
Chemical Structure Depiction of
[9-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-10-sulfanylidene-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene]propanedinitrile
[9-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-10-sulfanylidene-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene]propanedinitrile
Compound characteristics
| Compound ID: | Y020-6993 |
| Compound Name: | [9-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-10-sulfanylidene-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene]propanedinitrile |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C24 H16 N4 O2 S2 |
| Smiles: | CC1(C)C2=C(C(N(c3cccc(c3)OC)S2)=S)c2cccc3C(=C(C#N)C#N)C(N1c23)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1688 |
| logD: | 4.1609 |
| logSw: | -4.517 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.283 |
| InChI Key: | BQMZSWUPRNSQHZ-UHFFFAOYSA-N |