7'-amino-2'-{[(2-chlorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-yn-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
Chemical Structure Depiction of
7'-amino-2'-{[(2-chlorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-yn-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
7'-amino-2'-{[(2-chlorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-yn-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
Compound characteristics
| Compound ID: | 8017-1495 |
| Compound Name: | 7'-amino-2'-{[(2-chlorophenyl)methyl]sulfanyl}-2,4'-dioxo-1-(prop-2-yn-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile |
| Molecular Weight: | 500.97 |
| Molecular Formula: | C25 H17 Cl N6 O2 S |
| Smiles: | C#CCN1C(C2(C(C#N)=C(N)NC3=C2C(NC(=N3)SCc2ccccc2[Cl])=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0493 |
| logD: | 3.0445 |
| logSw: | -3.7103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.231 |
| InChI Key: | MPQKXOIDZRGYSO-RUZDIDTESA-N |