1-(4-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-(4-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-(4-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0084 |
| Compound Name: | 1-(4-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.68 |
| Molecular Formula: | C27 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCCCN1CCCC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3937 |
| logD: | 3.3815 |
| logSw: | -3.8883 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.907 |
| InChI Key: | HXKSJOJQZOVAEK-UHFFFAOYSA-N |