Chemical ID: 4503357

CCc1cc2c3c(c1)C4(c5c(c6ccccc6[nH]5)CCN4)C(=O)N3C(CC2C)(C)C
Chemical ID:
4503357
Name [?]:
None
SMILES [?]:
CCc1cc2c3c(c1)C4(c5c(c6ccccc6[nH]5)CCN4)C(=O)N3C(CC2C)(C)C
InChi [?]:
InChI=1/C26H29N3O/c1-5-16-12-19-15(2)14-25(3,4)29-22(19)20(13-16)26(24(29)30)23-18(10-11-27-26)17-8-6-7-9-21(17)28-23/h6-9,12-13,15,27-28H,5,10-11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,30,2,14,15,13,16,19,20,4,8,26,27,3,12,11,5,7,17,6,10,22,25,9,21,18,24,23/E:(3,4)/rA:30cCCCCCCCCCCCCCCCCCNCCNCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;s9;d22;s6s22;s24;s25;s5s26;s27;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29N3O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:12.5407
Area:580.752
Solvation:-1.9781
Coulombic:-40.4339
Bond Count [?]
All:35
Single:27
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:399.528
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.64
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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