N-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | D715-1448 |
| Compound Name: | N-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | COc1ccc(CCNC(CNC(c2ccc3c(c2)sc(n3)n2cccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8173 |
| logD: | 3.8173 |
| logSw: | -4.0773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.03 |
| InChI Key: | NTNOOWFFBUBOAV-UHFFFAOYSA-N |