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Chemical ID: 5874196
Chemical ID:
5874196
Name [?]:
ethyl 1-[3-[(2,4-dimethoxyphenyl)carbamoyl-sec-butyl-amino]propanoyl]piperidine-3-carboxylate
SMILES [?]:
CCC(C)N(CCC(=O)N1CCCC(C1)C(=O)OCC)C(=O)Nc2ccc(cc2OC)OC
InChi [?]:
InChI=1/C24H37N3O6/c1-6-17(3)27(24(30)25-20-11-10-19(31-4)15-21(20)32-5)14-12-22(28)26-13-8-9-18(16-26)23(29)33-7-2/h10-11,15,17-18H,6-9,12-14,16H2,1-5H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,20,4,33,31,2,19,12,13,26,25,7,11,6,28,15,3,14,27,24,29,8,16,21,23,10,5,9,17,22,32,30,18/rA:33cCCCCNCCCONCCCCCCOOCCCONCCCCCCOCOC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;s19;s5;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H37N3O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.5992 |
Area: | 738.052 |
Solvation: | -5.85209 |
Coulombic: | -78.619 |
Bond Count [?]
All: | 34 |
Single: | 28 |
Double: | 6 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 463.567 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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