2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]bis[1,5-dimethyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one]
Chemical Structure Depiction of
2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]bis[1,5-dimethyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one]
2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]bis[1,5-dimethyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one]
Compound characteristics
| Compound ID: | 8018-3658 |
| Compound Name: | 2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]bis[1,5-dimethyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one] |
| Molecular Weight: | 684.88 |
| Molecular Formula: | C33 H44 N6 O6 S2 |
| Smiles: | CC(C)C1=C(C)N(C)N(C1=O)c1ccc(cc1)S(N1CCCN(CC1)S(c1ccc(cc1)N1C(C(C(C)C)=C(C)N1C)=O)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3208 |
| logD: | 2.3208 |
| logSw: | -2.6577 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 104.164 |
| InChI Key: | CBOBVZXJGKJRTN-UHFFFAOYSA-N |