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Chemical ID: 6011530
Chemical ID:
6011530
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)c4ccccc4
InChi [?]:
InChI=1/C30H33N3O3/c1-3-18-33(30(35)23-11-5-4-6-12-23)22-29(34)32(21-25-13-7-10-16-28(25)36-2)19-17-24-20-31-27-15-9-8-14-26(24)27/h4-16,20,31H,3,17-19,21-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,34,33,35,23,17,18,24,32,36,22,16,19,25,10,3,9,12,20,5,31,11,21,15,14,26,6,29,13,8,4,7,30,27/E:(5,6)(11,12)/rA:36nCCCNCCONCCCCNCCCCCCCCCCCCCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s26;s27;s4;d29;s29;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H33N3O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0394 |
Area: | 720.282 |
Solvation: | -4.96766 |
Coulombic: | -55.2579 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 483.601 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.13 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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