2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile
2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-9134 |
| Compound Name: | 2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile |
| Molecular Weight: | 470.34 |
| Molecular Formula: | C21 H16 Br N3 O3 S |
| Smiles: | COc1ccc(cc1)C1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)SC(=C1C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8506 |
| logD: | 2.8506 |
| logSw: | -3.4415 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.476 |
| InChI Key: | RYQZQTPYOPTEQD-UHFFFAOYSA-N |