Chemical ID: 4888076

CCCSc1c2c(c3cc4c(nc3s2)CC(OC4)(C)C)nc(n1)C
Chemical ID:
4888076
Name [?]:
None
SMILES [?]:
CCCSc1c2c(c3cc4c(nc3s2)CC(OC4)(C)C)nc(n1)C
InChi [?]:
InChI=1/C18H21N3OS2/c1-5-6-23-17-15-14(19-10(2)20-17)12-7-11-9-22-18(3,4)8-13(11)21-16(12)24-15/h7H,5-6,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,19,20,2,3,9,15,18,22,10,8,11,7,6,13,5,16,21,23,12,17,4,14/E:(3,4)/rA:24nCCCSCCCCCCCNCSCCOCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s11;s15;s16;s10s17;s16;s16;s7;d21;d5s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3OS2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4081
Area:558.079
Solvation:-2.54388
Coulombic:-25.4221
Bond Count [?]
All:27
Single:21
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:359.511
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.15
LogP (Chemaxon):5.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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