4-bromo-N-(4-{1-[(3-methoxypropyl)carbamoyl]cyclopropyl}phenyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-(4-{1-[(3-methoxypropyl)carbamoyl]cyclopropyl}phenyl)benzamide--trifluoroacetic acid (1/1)
4-bromo-N-(4-{1-[(3-methoxypropyl)carbamoyl]cyclopropyl}phenyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L165-0637 |
| Compound Name: | 4-bromo-N-(4-{1-[(3-methoxypropyl)carbamoyl]cyclopropyl}phenyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.35 |
| Molecular Formula: | C21 H23 Br N2 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCCNC(C1(CC1)c1ccc(cc1)NC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4705 |
| logD: | 3.4701 |
| logSw: | -3.6035 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.45 |
| InChI Key: | BVAFMEFOZSGMOR-UHFFFAOYSA-N |