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Chemical ID: 7451191
Chemical ID:
7451191
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4ccccc4Cl)C(=O)NCCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C30H28ClN5O4/c1-18-7-6-14-35-27(18)34-28-22(30(35)38)16-21(26(32)36(28)17-20-8-4-5-9-23(20)31)29(37)33-13-12-19-10-11-24(39-2)25(15-19)40-3/h4-11,14-16,32H,12-13,17H2,1-3H3,(H,33,37)
InChi Info:
AuxInfo=1/1/N:1,40,38,21,22,4,3,20,23,32,33,30,29,5,36,13,18,2,31,19,14,10,24,34,35,15,7,9,26,11,25,16,28,8,6,17,27,12,39,37/rA:40nCCCCCNCNCCCOCCCNNCCCCCCCClCONCCCCCCCCOCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s14;d26;s26;s28;s29;s30;s31;d32;s33;d34;d31s35;s35;s37;s34;s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28ClN5O4 |
All Atoms: | 68 |
Heavy Atoms: | 40 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5884 |
Area: | 776.53 |
Solvation: | -6.82487 |
Coulombic: | -77.7476 |
Bond Count [?]
All: | 44 |
Single: | 30 |
Double: | 14 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.79 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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