Chemical ID: 5952682

CCCCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)c2ccc(cc2)Cl
Chemical ID:
5952682
Name [?]:
N-butyl-4-chloro-N-[[isobutyl-[(1-methylpyrrol-2-yl)methyl]carbamoyl]methyl]benzamide
SMILES [?]:
CCCCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C23H32ClN3O2/c1-5-6-14-26(23(29)19-9-11-20(24)12-10-19)17-22(28)27(15-18(2)3)16-21-8-7-13-25(21)4/h7-13,18H,5-6,14-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,16,2,3,13,12,24,28,25,27,14,4,17,10,6,18,23,26,11,7,21,29,15,5,9,8,22/E:(2,3)(9,10)(11,12)/rA:29nCCCCNCCONCCCCCNCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;s11s14;s15;s9;s17;s18;s18;s5;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32ClN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5555
Area:628.59
Solvation:-3.1592
Coulombic:-41.7491
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:417.972
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.75
LogP (Chemaxon):4.09

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Descriptor Annotations

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