5-[(4-tert-butylphenyl)methoxy]-2-{[4-(3-chloro-2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(3-chloro-2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(3-chloro-2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4016 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(3-chloro-2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 559.12 |
| Molecular Formula: | C29 H35 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1c(cccc1[Cl])S(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5316 |
| logD: | 5.5313 |
| logSw: | -5.8129 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.733 |
| InChI Key: | IQPLJWFEZGWQQW-UHFFFAOYSA-N |