Chemical ID: 5920795

Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CN(C4CC4)C(=O)C5CCCC5
Chemical ID:
5920795
Name [?]:
N-[[benzo[1,3]dioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclopropyl-cyclopentanecarboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CN(C4CC4)C(=O)C5CCCC5
InChi [?]:
InChI=1/C25H30N2O4S/c1-17-10-11-32-23(17)14-26(13-18-6-9-21-22(12-18)31-16-30-21)24(28)15-27(20-7-8-20)25(29)19-4-2-3-5-19/h6,9-12,19-20H,2-5,7-8,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,31,29,32,11,24,25,12,3,4,15,9,7,21,17,2,10,28,23,13,14,6,19,26,8,22,20,27,18,16,5/E:(2,3)(4,5)(7,8)/rA:32nCCCCSCCNCCCCCCCOCOCOCNCCCCOCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s23s24;s22;d26;s26;s28;s29;s30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.0653
Area:652.759
Solvation:-5.25366
Coulombic:-49.8229
Bond Count [?]
All:36
Single:29
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:454.583
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.44
LogP (Chemaxon):3.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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