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Chemical ID: 5913883
Chemical ID:
5913883
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)heptanamide
SMILES [?]:
CCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C31H43N3O4/c1-4-5-6-7-13-30(35)33(19-10-21-37-2)24-31(36)34(23-25-14-16-27(38-3)17-15-25)20-18-26-22-32-29-12-9-8-11-28(26)29/h8-9,11-12,14-17,22,32H,4-7,10,13,18-21,23-24H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,38,2,3,4,5,27,28,11,26,29,6,32,36,33,35,20,10,19,12,22,30,15,31,21,34,25,24,7,16,23,9,18,8,17,13,37/E:(14,15)(16,17)/rA:38nCCCCCCCONCCCOCCCONCCCCNCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s9;s15;d16;s16;s18;s19;s20;d21;s22;s23;s21s24;d25;s26;d27;d24s28;s18;s30;s31;d32;s33;d34;d31s35;s34;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H43N3O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9706 |
Area: | 857.277 |
Solvation: | -7.4613 |
Coulombic: | -59.4096 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 19 |
Chiral: | 0 |
Rigid Segments: | 13 |
Chemical Properties
Molecular Weight: | 521.691 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.43 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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