N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(pyrrolidine-1-carbonyl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(pyrrolidine-1-carbonyl)benzamide
N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(pyrrolidine-1-carbonyl)benzamide
Compound characteristics
| Compound ID: | 3448-3233 |
| Compound Name: | N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(pyrrolidine-1-carbonyl)benzamide |
| Molecular Weight: | 522.69 |
| Molecular Formula: | C27 H30 N4 O3 S2 |
| Smiles: | C1CCC(CC1)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1C(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6784 |
| logD: | 4.6782 |
| logSw: | -4.484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.351 |
| InChI Key: | GSWXWTPXZXDXJH-UHFFFAOYSA-N |