5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8009-0628 |
| Compound Name: | 5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 529.96 |
| Molecular Formula: | C27 H16 Cl N3 O5 S |
| Smiles: | C(=C1C(N(C(N(C1=O)c1ccccc1)=S)c1ccccc1)=O)c1ccc(c2ccc(cc2[N+]([O-])=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 5.08 |
| logSw: | -5.3358 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.171 |
| InChI Key: | MQTAPZRVWVGOIF-UHFFFAOYSA-N |