methyl 4-chloro-2-({2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 4-chloro-2-({2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L693-0132 |
| Compound Name: | methyl 4-chloro-2-({2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 484.94 |
| Molecular Formula: | C23 H25 Cl N6 O4 |
| Smiles: | COC(c1ccc(cc1NC(NCCn1c2ccc(cc2nn1)C(N1CCCCC1)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3796 |
| logD: | 2.2465 |
| logSw: | -3.6019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.505 |
| InChI Key: | IOWHCSYRTHHZFY-UHFFFAOYSA-N |