Chemical ID: 4657267

CCN(CC)CCNc1c2c(c3c4c(c(nc3s2)c5ccccc5)CCC4)ncn1
Chemical ID:
4657267
Name [?]:
None
SMILES [?]:
CCN(CC)CCNc1c2c(c3c4c(c(nc3s2)c5ccccc5)CCC4)ncn1
InChi [?]:
InChI=1/C24H27N5S/c1-3-29(4-2)14-13-25-23-22-21(26-15-27-23)19-17-11-8-12-18(17)20(28-24(19)30-22)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,22,21,23,26,20,24,27,25,7,6,29,19,13,14,12,15,11,10,9,17,8,28,30,16,3,18/E:(1,2)(3,4)(6,7)(9,10)/rA:30nCCNCCCCNCCCCCCCNCSCCCCCCCCCNCN/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s15;s19;d20;s21;d22;d19s23;s14;s25;s13s26;s11;d28;d9s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N5S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.2187
Area:657.644
Solvation:-2.22242
Coulombic:-35.508
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.571
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.55
LogP (Chemaxon):5.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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