methyl 4-chloro-2-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 4-chloro-2-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | G373-2903 |
| Compound Name: | methyl 4-chloro-2-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 506.97 |
| Molecular Formula: | C21 H23 Cl N6 O5 S |
| Smiles: | COC(c1ccc(cc1NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3494 |
| logD: | 2.2163 |
| logSw: | -3.5476 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.934 |
| InChI Key: | MKGMDRHUGYZQER-UHFFFAOYSA-N |