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Chemical ID: 5891900
Chemical ID:
5891900
Name [?]:
2-methoxy-N-[4-(1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4
InChi [?]:
InChI=1/C24H29N3O3/c1-30-22-10-4-3-9-19(22)23(28)25-18-11-12-21(26-13-5-2-6-14-26)20(17-18)24(29)27-15-7-8-16-27/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,6,5,27,29,22,23,7,4,13,14,26,30,21,24,17,12,8,16,15,3,9,18,11,25,20,10,19,2/E:(5,6)(7,8)(13,14)(15,16)/rA:30nCOCCCCCCCONCCCCCCCONCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;s20s23;s15;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92812 |
Area: | 626.515 |
Solvation: | -5.73477 |
Coulombic: | -50.6554 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 407.505 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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