Chemical ID: 6840377

CC(C)c1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
6840377
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C21H22N2O2S2/c1-12(2)13-7-9-14(10-8-13)16(24)11-26-21-22-19(25)18-15-5-3-4-6-17(15)27-20(18)23-21/h7-10,12H,3-6,11H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,26,25,27,24,5,9,6,8,12,2,4,7,19,10,20,18,16,22,14,15,23,11,17,13,21/E:(1,2)(7,8)(9,10)/rA:27nCCCCCCCCCCOCSCNCOCCCSCNCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;d16;s16;s18;d19;s20;d18s21;d14s22;s20;s24;s25;s19s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S2
All Atoms:49
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6769
Area:614.35
Solvation:-2.68189
Coulombic:-37.2413
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.544
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.64
LogP (Chemaxon):5.04

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Descriptor Annotations

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