N-(2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D336-2505 |
| Compound Name: | N-(2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C23 H25 N3 O3 S2 |
| Smiles: | COc1ccccc1NC(CSc1nc2ccc(cc2s1)NC(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9961 |
| logD: | 4.9961 |
| logSw: | -4.6004 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.414 |
| InChI Key: | ATSWQDQWSARXNQ-UHFFFAOYSA-N |