N-butyl-1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-butyl-1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0844 |
| Compound Name: | N-butyl-1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 534.98 |
| Molecular Formula: | C21 H25 Cl N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(C1(CC1)c1ccc(cc1)NS(c1ccc(C)c(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7618 |
| logD: | 4.7496 |
| logSw: | -4.861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.666 |
| InChI Key: | NTJKXBJUDZSBSM-UHFFFAOYSA-N |