N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | D715-1450 |
| Compound Name: | N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | C1CCC(CCNC(CNC(c2ccc3c(c2)sc(n3)n2cccc2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2054 |
| logD: | 4.2054 |
| logSw: | -4.2752 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.678 |
| InChI Key: | NDUVTXXEYXXRBQ-UHFFFAOYSA-N |