Chemical ID: 7081347

CCCCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nnc(s5)CC)Cl
Chemical ID:
7081347
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nnc(s5)CC)Cl
InChi [?]:
InChI=1/C26H24ClN3O4S/c1-3-5-6-13-33-17-10-7-15(8-11-17)22-21-23(31)18-14-16(27)9-12-19(18)34-24(21)25(32)30(22)26-29-28-20(4-2)35-26/h7-12,14,22H,3-6,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,2,33,3,4,9,11,20,8,12,21,5,18,10,19,7,17,22,31,14,13,15,24,25,28,35,30,29,27,16,26,6,23,32/E:(7,8)(10,11)/rA:35cCCCCCOCCCCCCCCCOCCCCCCOCCONCNNCSCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;d28;s29;d30;s28s31;s31;s33;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24ClN3O4S
All Atoms:59
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.1653
Area:755.0
Solvation:-4.70968
Coulombic:-47.3887
Bond Count [?]
All:39
Single:28
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:510.005
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.2
LogP (Chemaxon):5.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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