Chemical ID: 7028526

CCN(CC)CCN1Cc2c3c(sc2N(C1)C(=O)C)CCCC3
Chemical ID:
7028526
Name [?]:
None
SMILES [?]:
CCN(CC)CCN1Cc2c3c(sc2N(C1)C(=O)C)CCCC3
InChi [?]:
InChI=1/C18H29N3OS/c1-4-19(5-2)10-11-20-12-16-15-8-6-7-9-17(15)23-18(16)21(13-20)14(3)22/h4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,19,2,4,22,21,23,20,6,7,9,16,17,11,10,12,14,3,8,15,18,13/E:(1,2)(4,5)/rA:23cCCNCCCCNCCCCSCNCCOCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d10s13;s14;s8s15;s15;d17;s17;s12;s20;s21;s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29N3OS
All Atoms:52
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.2086
Area:546.142
Solvation:-3.44492
Coulombic:-24.2455
Bond Count [?]
All:25
Single:22
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.508
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.51
LogP (Chemaxon):2.3

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Descriptor Annotations

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