N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(4-methoxyphenyl)ethyl]urea
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(4-methoxyphenyl)ethyl]urea
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(4-methoxyphenyl)ethyl]urea
Compound characteristics
| Compound ID: | Y044-5204 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(4-methoxyphenyl)ethyl]urea |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | COc1ccc(CCNC(N[C@@H](CCSC)c2nc3ccccc3[nH]2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.9565 |
| logD: | 2.9548 |
| logSw: | -3.4012 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.492 |
| InChI Key: | ZILRFCQYTFAAKN-IBGZPJMESA-N |