Chemical ID: 6126603

CCCCCC(=O)N1c2ccccc2NC3=C(C1c4ccccc4Cl)C(=O)CC(C3)c5ccc(cc5)C
Chemical ID:
6126603
Name [?]:
None
SMILES [?]:
CCCCCC(=O)N1c2ccccc2NC3=C(C1c4ccccc4Cl)C(=O)CC(C3)c5ccc(cc5)C
InChi [?]:
InChI=1/C32H33ClN2O2/c1-3-4-5-14-30(37)35-28-13-9-8-12-26(28)34-27-19-23(22-17-15-21(2)16-18-22)20-29(36)31(27)32(35)24-10-6-7-11-25(24)33/h6-13,15-18,23,32,34H,3-5,14,19-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,2,3,4,21,22,12,11,20,23,13,10,5,33,35,32,36,30,28,34,31,29,19,24,14,16,9,26,6,17,18,25,15,8,27,7/E:(15,16)(17,18)/rA:37cCCCCCCONCCCCCCNCCCCCCCCCClCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;d16;s8s17;s18;s19;d20;s21;d22;d19s23;s24;s17;d26;s26;s28;s16s29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H33ClN2O2
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:14.7788
Area:731.396
Solvation:-3.50612
Coulombic:-38.0448
Bond Count [?]
All:41
Single:29
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:513.069
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.12
LogP (Chemaxon):6.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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