Chemical ID: 6023111

COCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)c4ccc(cc4)OC
Chemical ID:
6023111
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-4-methoxy-N-(3-methoxypropyl)benzamide
SMILES [?]:
COCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C27H30N2O6S/c1-32-13-4-12-28(27(31)21-7-9-22(33-2)10-8-21)18-26(30)29(17-23-5-3-14-36-23)16-20-6-11-24-25(15-20)35-19-34-24/h3,5-11,14-15H,4,12-13,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,24,4,23,13,30,34,31,33,14,5,3,25,17,11,21,7,19,12,29,32,22,15,16,8,27,6,10,9,28,2,35,20,18,26/E:(7,8)(9,10)/rA:36nCOCCCNCCONCCCCCCCOCOCCCCCSCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s10;s21;d22;s23;d24;s22s25;s6;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O6S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:10.3132
Area:733.044
Solvation:-8.01292
Coulombic:-66.0098
Bond Count [?]
All:39
Single:29
Double:10
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:510.603
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.2
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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