tert-Butyl-5-((4-(N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)sulfam-oyl)phenyl)ethynyl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate (HCID 131733945)

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC1(C#Cc2ccc(S(=O)(=O)NC3CCC4CC3C4(C)C)cc2)COC(C)(C)OC1
InChIKey: IVSZYYVNEJAQSR-UHFFFAOYSA-N
분자식: C28H40N2O6S
평균 분자량: 532.7 g/mol

이름 및 식별자

우선 이름: tert-Butyl-5-((4-(N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)sulfam-oyl)phenyl)ethynyl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate
IUPAC: tert-butyl N-[5-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)sulfamoyl]phenyl]ethynyl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

이름 및 동의어

IVSZYYVNEJAQSR-UHFFFAOYSA-Ntert-Butyl-5-((4-(N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)sulfam-oyl)phenyl)ethynyl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamatetert-Butyl-5-((4-(N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)sulfamoyl)phenyl)ethynyl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamatetert-butyl-5-((4-(N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)sulfamoyl)phenyl-) ethynyl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamatetert-butyl-5-((4-(N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)sulfamoyl)phenyl-)ethynyl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate

데이터베이스 식별자

PubChem CID: 131733945

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 111 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 1,020

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