N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 8009-1609 |
| Compound Name: | N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide |
| Molecular Weight: | 547.74 |
| Molecular Formula: | C30 H33 N3 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.3664 |
| logD: | 8.3656 |
| logSw: | -5.5596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.707 |
| InChI Key: | FRRPMDQZAKOHRC-UHFFFAOYSA-N |