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Chemical ID: 6011244
Chemical ID:
6011244
Name [?]:
2-chloro-N-cyclopropyl-N-[[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]propanamide
SMILES [?]:
CC(C(=O)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(c(c3)OC)OC)C4CC4)Cl
InChi [?]:
InChI=1/C27H32ClN3O4/c1-18(28)27(33)31(21-9-10-21)17-26(32)30(16-19-8-11-24(34-2)25(14-19)35-3)13-12-20-15-29-23-7-5-4-6-22(20)23/h4-8,11,14-15,18,21,29H,9-10,12-13,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,18,19,17,20,23,33,34,24,11,10,27,13,21,6,2,22,12,32,16,15,25,26,7,3,35,14,9,5,8,4,30,28/E:(9,10)/rA:35cCCCONCCONCCCCNCCCCCCCCCCCCCOCOCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s5;s32;s32s33;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32ClN3O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8329 |
Area: | 738.464 |
Solvation: | -7.62871 |
Coulombic: | -58.4088 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 498.013 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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