3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y040-4491 |
| Compound Name: | 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C22 H22 Cl N O6 S |
| Smiles: | CC(C)[C@@H](C(=O)Oc1ccc2C(C)=C(C(=O)Oc2c1)[Cl])NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.6223 |
| logD: | 4.6222 |
| logSw: | -4.7855 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.133 |
| InChI Key: | YBPNISBPMUGRDO-FQEVSTJZSA-N |