1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0026 |
| Compound Name: | 1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.62 |
| Molecular Formula: | C24 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCNC(C1(CC1)c1ccc(cc1)NS(c1cc(C)ccc1NC(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9344 |
| logD: | 2.7789 |
| logSw: | -3.444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.23 |
| InChI Key: | NIRKEABWIVULOW-UHFFFAOYSA-N |