N-[(2S)-1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1-oxopropan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-[(2S)-1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1-oxopropan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-[(2S)-1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1-oxopropan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | Y042-9945 |
| Compound Name: | N-[(2S)-1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1-oxopropan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | C[C@@H](C(NCCC1CCCCC=1)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1381 |
| logD: | 4.1381 |
| logSw: | -4.1703 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.055 |
| InChI Key: | XWEMXOIYTRYCAO-INIZCTEOSA-N |