1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0485 |
| Compound Name: | 1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 555.39 |
| Molecular Formula: | C17 H17 Br N2 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | C=CCNC(C1(CC1)c1ccc(cc1)NS(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4043 |
| logD: | 3.4012 |
| logSw: | -3.6922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.684 |
| InChI Key: | ITEVJGZJXRSITP-UHFFFAOYSA-N |