1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0507 |
| Compound Name: | 1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.4 |
| Molecular Formula: | C20 H23 Br N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | COCCCNC(C1(CC1)c1ccc(cc1)NS(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4157 |
| logD: | 3.3843 |
| logSw: | -3.7779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.008 |
| InChI Key: | GMDVLJFQPFGBTD-UHFFFAOYSA-N |