N-(5-chloro-2,4-dimethoxyphenyl)-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
N-(5-chloro-2,4-dimethoxyphenyl)-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
Compound characteristics
Compound ID: | D408-0768 |
Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea |
Molecular Weight: | 441.91 |
Molecular Formula: | C17 H16 Cl N3 O5 S2 |
Smiles: | COc1cc(c(cc1NC(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O)[Cl])OC |
Stereo: | ACHIRAL |
logP: | 3.363 |
logD: | 3.3619 |
logSw: | -3.814 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.615 |
InChI Key: | VCMZTPKWIIZVEL-UHFFFAOYSA-N |