(3R)-2'-amino-5-chloro-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
Chemical Structure Depiction of
(3R)-2'-amino-5-chloro-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
(3R)-2'-amino-5-chloro-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
Compound characteristics
| Compound ID: | Y040-6000 |
| Compound Name: | (3R)-2'-amino-5-chloro-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile |
| Molecular Weight: | 355.73 |
| Molecular Formula: | C17 H10 Cl N3 O4 |
| Smiles: | CC1=CC2=C(C(=O)O1)[C@@]1(C(C#N)=C(N)O2)C(Nc2ccc(cc12)[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 1.846 |
| logD: | 1.8452 |
| logSw: | -3.1183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.132 |
| InChI Key: | BHBAPSGCERJRES-QGZVFWFLSA-N |