5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V003-1643 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 621.22 |
| Molecular Formula: | C30 H37 Cl N2 O6 S2 |
| Salt: | not_available |
| Smiles: | CC(C)S(c1csc(C(N2CCCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)C(C)(C)C)=O)=O)c1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1375 |
| logD: | 5.1307 |
| logSw: | -5.4958 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.461 |
| InChI Key: | NUEMZGWOHADKSR-UHFFFAOYSA-N |