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Chemical ID: 7354870
Chemical ID:
7354870
Name [?]:
None
SMILES [?]:
CCC(C)C(C(=O)NCc1ccco1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C30H30N4O4/c1-3-17(2)25(29(36)31-16-18-9-8-14-38-18)33-28(35)24-15-22-19-10-6-7-13-23(19)32-26(22)27-20-11-4-5-12-21(20)30(37)34(24)27/h4-14,17,24-25,27,32H,3,15-16H2,1-2H3,(H,31,36)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,4,2,36,37,23,24,12,11,22,35,38,25,13,19,9,3,10,21,34,33,20,26,18,5,28,29,16,6,31,8,27,15,30,17,7,32,14/rA:38cCCCCCCONCCCCCONCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s5;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;d20s27;s28;s18s29;s30;d31;s31;s29s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H30N4O4 |
All Atoms: | 68 |
Heavy Atoms: | 38 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 13.1468 |
Area: | 725.809 |
Solvation: | -4.99843 |
Coulombic: | -80.2004 |
Bond Count [?]
All: | 43 |
Single: | 31 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 510.584 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.49 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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