1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0216 |
| Compound Name: | 1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.5 |
| Molecular Formula: | C21 H25 Br N2 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CCCC(CC1)NC(C1(CC1)c1ccc(cc1)NS(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4297 |
| logD: | 5.4266 |
| logSw: | -5.7369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.628 |
| InChI Key: | BNIIJENGERVGJK-UHFFFAOYSA-N |