1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0520 |
| Compound Name: | 1-{4-[(5-bromothiophene-2-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.43 |
| Molecular Formula: | C18 H21 Br N2 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | COCCCNC(C1(CC1)c1ccc(cc1)NS(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.267 |
| logD: | 3.2639 |
| logSw: | -3.5174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.027 |
| InChI Key: | RBJBNSDKUOOPQJ-UHFFFAOYSA-N |