trans-4-(4-Chlorophenyl)-3-pyrrolidinyl]carbamic Acid 1,1-Dimethylethyl Ester - CAS 1315368-76-3
Catalog: |
BB069885 |
Product Name: |
trans-4-(4-Chlorophenyl)-3-pyrrolidinyl]carbamic Acid 1,1-Dimethylethyl Ester |
CAS: |
1315368-76-3 |
Synonyms: |
tert-butyl N-[4-(3-chlorophenyl)pyrrolidin-3-yl]carbamate; tert-butylN-[4-(3-chlorophenyl)pyrrolidin-3-yl]carbamate |
IUPAC Name: | tert-butyl N-[4-(3-chlorophenyl)pyrrolidin-3-yl]carbamate |
Description: | trans-4-(4-Chlorophenyl)-3-pyrrolidinyl]carbamic Acid 1,1-Dimethylethyl Ester is used in the synthesis of novel HIV-1 RT inhibitors. |
Molecular Weight: | 296.79 |
Molecular Formula: | C15H21ClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CNCC1C2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-13-9-17-8-12(13)10-5-4-6-11(16)7-10/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19) |
InChI Key: | ZWEBXFPIYOALSC-UHFFFAOYSA-N |
References: | C, Pi. et al. Bioorg Med. Chem. Lett., 17, 4476 (2007). |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.1291556 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.1291556 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.4Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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