methyl N-[4-chloro-2-(1H-tetrazol-1-yl)benzoyl]-L-tryptophanate
Chemical Structure Depiction of
methyl N-[4-chloro-2-(1H-tetrazol-1-yl)benzoyl]-L-tryptophanate
methyl N-[4-chloro-2-(1H-tetrazol-1-yl)benzoyl]-L-tryptophanate
Compound characteristics
| Compound ID: | Y042-9748 |
| Compound Name: | methyl N-[4-chloro-2-(1H-tetrazol-1-yl)benzoyl]-L-tryptophanate |
| Molecular Weight: | 424.84 |
| Molecular Formula: | C20 H17 Cl N6 O3 |
| Smiles: | COC([C@H](Cc1c[nH]c2ccccc12)NC(c1ccc(cc1n1cnnn1)[Cl])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1124 |
| logD: | 3.1123 |
| logSw: | -3.6035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.791 |
| InChI Key: | BZXHCKPXYHNDQZ-KRWDZBQOSA-N |