Chemical ID: 3954195

CC(=O)NC(Cc1ccc(c(c1)OC)OC)C(=O)N2CCN(CC2)C(=O)Nc3cccc(c3)Cl
Chemical ID:
3954195
Name [?]:
4-[2-acetamido-3-(3,4-dimethoxyphenyl)-propanoyl]-N,N-bis[4-[2-acetamido-3-(3,4-dimethoxyphenyl)-propanoyl]piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
CC(=O)NC(Cc1ccc(c(c1)OC)OC)C(=O)N2CCN(CC2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C24H29ClN4O5/c1-16(30)26-20(13-17-7-8-21(33-2)22(14-17)34-3)23(31)28-9-11-29(12-10-28)24(32)27-19-6-4-5-18(25)15-19/h4-8,14-15,20H,9-13H2,1-3H3,(H,26,30)(H,27,32)
InChi Info:
AuxInfo=1/1/N:1,16,14,30,31,29,8,9,20,24,21,23,6,12,33,2,7,32,28,5,10,11,17,25,34,4,27,19,22,3,18,26,15,13/E:(9,10)(11,12)/rA:34cCCONCCCCCCCCOCOCCONCCNCCCONCCCCCCCl/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s5;d17;s17;s19;s20;s21;s22;s19s23;s22;d25;s25;s27;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29ClN4O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.20126
Area:714.671
Solvation:-8.66552
Coulombic:-78.8711
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:488.964
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:1.82
LogP (Chemaxon):1.86

Name Annotations

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Descriptor Annotations

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