Chemical ID: 6892066

CC1CCc2c(sc3c2c(=O)[nH]c(n3)SCc4ccccc4)C1
Chemical ID:
6892066
Name [?]:
None
SMILES [?]:
CC1CCc2c(sc3c2c(=O)[nH]c(n3)SCc4ccccc4)C1
InChi [?]:
InChI=1/C18H18N2OS2/c1-11-7-8-13-14(9-11)23-17-15(13)16(21)19-18(20-17)22-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,3,4,23,16,2,17,5,6,9,10,8,13,12,14,11,15,7/E:(3,4)(5,6)/rA:23cCCCCCCSCCCONCNSCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2OS2
All Atoms:41
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:11.8604
Area:534.779
Solvation:-1.50904
Coulombic:-30.4059
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:342.48
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.12
LogP (Chemaxon):5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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