propan-2-yl 4-cyano-3-methyl-5-[(9H-xanthene-9-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-cyano-3-methyl-5-[(9H-xanthene-9-carbonyl)amino]thiophene-2-carboxylate
propan-2-yl 4-cyano-3-methyl-5-[(9H-xanthene-9-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 6048-0112 |
| Compound Name: | propan-2-yl 4-cyano-3-methyl-5-[(9H-xanthene-9-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C24 H20 N2 O4 S |
| Smiles: | CC(C)OC(c1c(C)c(C#N)c(NC(C2c3ccccc3Oc3ccccc23)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.707 |
| logD: | -1.7635 |
| logSw: | -4.6819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.426 |
| InChI Key: | NYMRXCRLUJKZNQ-UHFFFAOYSA-N |