methyl 2-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)-4-methylbenzoate
Chemical Structure Depiction of
methyl 2-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)-4-methylbenzoate
methyl 2-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)-4-methylbenzoate
Compound characteristics
| Compound ID: | L693-0578 |
| Compound Name: | methyl 2-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)-4-methylbenzoate |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C24 H28 N6 O4 |
| Smiles: | Cc1ccc(C(=O)OC)c(c1)NC(NCCn1c2ccc(cc2nn1)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5099 |
| logD: | 2.5085 |
| logSw: | -3.0343 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.362 |
| InChI Key: | FEKMOANHFNXORP-UHFFFAOYSA-N |