1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0472 |
| Compound Name: | 1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.36 |
| Molecular Formula: | C19 H19 Br N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | C=CCNC(C1(CC1)c1ccc(cc1)NS(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.553 |
| logD: | 3.5216 |
| logSw: | -3.8077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.666 |
| InChI Key: | CHHHMKNRFABKMQ-UHFFFAOYSA-N |