N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
Compound characteristics
Compound ID: | 8009-4719 |
Compound Name: | N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide |
Molecular Weight: | 541.69 |
Molecular Formula: | C30 H27 N3 O3 S2 |
Smiles: | CCCCOc1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1cccc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 7.5237 |
logD: | 7.5237 |
logSw: | -6.5845 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.435 |
InChI Key: | KHJQQYBHLKMWAE-UHFFFAOYSA-N |