2-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
Chemical Structure Depiction of
2-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
2-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
Compound characteristics
| Compound ID: | 8013-2018 |
| Compound Name: | 2-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C25 H19 N3 O5 S2 |
| Smiles: | Cc1cc(cc(c1C)[N+]([O-])=O)c1ccc(/C=C2/C(N3C(=NC(c4c5CCCCc5sc34)=O)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.7397 |
| logD: | 5.7397 |
| logSw: | -5.5436 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.577 |
| InChI Key: | HSCQBLNJPJVZDI-UHFFFAOYSA-N |