N-(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
N-(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 8007-5576 |
| Compound Name: | N-(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C28 H27 N3 O3 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4762 |
| logD: | 6.4754 |
| logSw: | -5.5661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.116 |
| InChI Key: | BQVZJTKDQSHHPF-UHFFFAOYSA-N |