N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
Compound characteristics
| Compound ID: | 8008-5502 |
| Compound Name: | N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide |
| Molecular Weight: | 505.66 |
| Molecular Formula: | C27 H27 N3 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.943 |
| logD: | 6.9409 |
| logSw: | -5.5096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.707 |
| InChI Key: | YFMPNSCXLIPGIJ-UHFFFAOYSA-N |