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Chemical ID: 7028526
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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