4-(6-amino-3-tert-butyl-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-(6-amino-3-tert-butyl-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate
4-(6-amino-3-tert-butyl-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | 3448-4089 |
| Compound Name: | 4-(6-amino-3-tert-butyl-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C24 H21 Cl N4 O3 |
| Smiles: | CC(C)(C)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(cc1)OC(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6553 |
| logD: | 4.6553 |
| logSw: | -5.0373 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.122 |
| InChI Key: | NRBAHNGZSAUMSR-SFHVURJKSA-N |