Chemical ID: 6024177

CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)c3cccc(c3)OC
Chemical ID:
6024177
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3-methoxy-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C29H36N2O5S/c1-6-14-31(29(33)23-8-7-9-24(18-23)34-3)20-28(32)30(19-27-21(2)13-16-37-27)15-12-22-10-11-25(35-4)26(17-22)36-5/h7-11,13,16-18H,6,12,14-15,19-20H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,27,37,20,18,2,32,31,33,12,13,10,24,3,9,25,16,35,21,5,23,11,30,34,14,15,22,6,28,8,4,7,29,36,19,17,26/rA:37nCCCNCCONCCCCCCCCOCOCCCCCCSCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s23;s4;d28;s28;s30;d31;s32;d33;d30s34;s34;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H36N2O5S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:10.9224
Area:774.719
Solvation:-8.44563
Coulombic:-56.4479
Bond Count [?]
All:39
Single:29
Double:10
Rotors:15
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:524.673
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.92
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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