4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Chemical Structure Depiction of
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Compound characteristics
| Compound ID: | Y040-3609 |
| Compound Name: | 4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H23 N O6 S |
| Smiles: | CCC(C(=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1825 |
| logD: | 4.1825 |
| logSw: | -4.2935 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.698 |
| InChI Key: | VOUNNRDSKLSMJH-FQEVSTJZSA-N |