N-(butan-2-yl)-5-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(butan-2-yl)-5-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-(butan-2-yl)-5-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0814 |
| Compound Name: | N-(butan-2-yl)-5-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.04 |
| Molecular Formula: | C22 H29 Cl N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(c1cc(ccc1N1CCNCC1)NS(c1ccc(C)c(c1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6138 |
| logD: | 2.1382 |
| logSw: | -3.9464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.127 |
| InChI Key: | HHOJQTNUJWWMJP-INIZCTEOSA-N |