2'-amino-1-[(3-bromophenyl)methyl]-6'-(hydroxymethyl)-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
Chemical Structure Depiction of
2'-amino-1-[(3-bromophenyl)methyl]-6'-(hydroxymethyl)-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
2'-amino-1-[(3-bromophenyl)methyl]-6'-(hydroxymethyl)-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
Compound characteristics
Compound ID: | 8016-3593 |
Compound Name: | 2'-amino-1-[(3-bromophenyl)methyl]-6'-(hydroxymethyl)-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile |
Molecular Weight: | 506.31 |
Molecular Formula: | C24 H16 Br N3 O5 |
Smiles: | C(c1cccc(c1)[Br])N1C(C2(C(C#N)=C(N)OC3=C2OC(CO)=CC3=O)c2ccccc12)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.5939 |
logD: | 2.5939 |
logSw: | -3.5125 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 102.178 |
InChI Key: | XIHOXGJJBOCSBA-DEOSSOPVSA-N |