5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1618 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 552.73 |
| Molecular Formula: | C31 H40 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCCc1ccc(cc1)S(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0889 |
| logD: | 6.0886 |
| logSw: | -5.3724 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.733 |
| InChI Key: | BOASJJFQPISOCY-UHFFFAOYSA-N |