1-{4-[(4-acetamidobenzene-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-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0075 |
| Compound Name: | 1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.62 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCCCN1CCCC1=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9145 |
| logD: | 0.9128 |
| logSw: | -2.3219 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.169 |
| InChI Key: | JFJOZYKGEGFOEJ-UHFFFAOYSA-N |