N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 8009-7614 |
| Compound Name: | N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 405.58 |
| Molecular Formula: | C20 H27 N3 O2 S2 |
| Smiles: | CC(C)(C)NC(CSc1nc2ccc(cc2s1)NC(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6535 |
| logD: | 4.6534 |
| logSw: | -4.3861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.898 |
| InChI Key: | WKAXFYYELLKSDR-UHFFFAOYSA-N |